| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 74.2 | Confident | 242 Ų | 242 | 129 Ų | 129 | 100% | 1.192 | 66% | 0.662 | S | S | * | * | 0 | 118.4 | 0 | -81.2 | -171.8 | -90.4 | 0 | 0 | 108.3 | G3 | M1-G3 PolarHBondContact O-N 3.48Š| |||
| 2 | I | 49.6 | Very low | 76 | Confident | 164 Ų | 164 | 127.9 Ų | 127.9 | 84% | 0.841 | 65% | 0.649 | S | S | * | * | trans | -80.6 | 95 | 169.1 | -59.9 | 170.6 | 0 | 0 | 0 | 106 | R4 | I2-R4 PolarHBondContact O-N 3.23Š| ||
| 3 | G | 64.8 | Low | 77.6 | Confident | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | M1 | M1-G3 PolarHBondContact O-N 3.48Š|
| 4 | R | 72.3 | Confident | 79 | Confident | 228 Ų | 228 | 111.9 Ų | 111.9 | 86% | 0.86 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 125.3 | 168.8 | -67.9 | -175.6 | 179.5 | -171.2 | 0 | 108.2 | I2 | I2-R4 PolarHBondContact O-N 3.23Š|
| 5 | L | 73.4 | Confident | 80.3 | Confident | 63 Ų | 63 | 104.5 Ų | 104.5 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 121 | 168.4 | -176.9 | 66.8 | 0 | 0 | 0 | 108.4 | L7 N292 A293 Y296 | L5-L7 HydrophobicContact CD2-CD2 3.71Å; L5-L7 HydrophobicContact CG-CD2 4.11Å; L5-L7 PolarHBondContact O-N 3.22Å; L5-N292 HydrophobicContact CD2-CB 4.17Å; L5-A293 HydrophobicContact CD1-CB 3.94Å; L5-A293 HydrophobicContact CD2-CB 4.26Å; L5-Y296 HydrophobicContact CD1-CD2 3.49Å; L5-Y296 VanDerWaalsContact CD1-CD2 3.49Å; L5-Y296 HydrophobicContact CD1-CE2 3.57Å; L5-Y296 HydrophobicContact CD1-CG 4.46Å |
| 6 | L | 78.9 | Confident | 81.3 | Confident | 133 Ų | 133 | 97.9 Ų | 97.9 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | trans | -80.4 | 107.8 | 171.7 | -69.1 | 172.9 | 0 | 0 | 0 | 108.4 | Y296 | L6-Y296 PolarHBondContact O-OH 3.02Š| ||
| 7 | L | 84.7 | Confident | 82.2 | Confident | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.346 | 47% | 0.468 | S | S | . | . | trans | -78.8 | 125.9 | 178.2 | -62.8 | 174.8 | 0 | 0 | 0 | 110.4 | L5 K9 V34 N292 | L5-L7 HydrophobicContact CD2-CD2 3.71Å; L5-L7 HydrophobicContact CG-CD2 4.11Å; L5-L7 PolarHBondContact O-N 3.22Å; L7-K9 PolarHBondContact O-N 2.81Å; L7-V34 HydrophobicContact CD1-CG1 4.45Å; L7-V34 HydrophobicContact CD1-CG2 4.07Å; L7-V34 HydrophobicContact CD2-CG1 3.96Å; L7-V34 HydrophobicContact CD2-CG2 4.15Å; L7-N292 HydrophobicContact CD2-CB 3.86Å | ||
| 8 | N | 86.9 | Confident | 83 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 39% | 0.39 | 45% | 0.452 | S | S | . | . | trans | -75.8 | 91.7 | 165.2 | -175.6 | -7.4 | 0 | 0 | 0 | 109.4 | T10 K11 N36 | N8-T10 PolarHBondContact O-N 2.84Å; N8-T10 PolarHBondContact OD1-N 3.37Å; N8-T10 PolarHBondContact OD1-OG1 2.96Å; N8-K11 HydrophobicContact CB-CB 4.24Å; N8-K11 PolarHBondContact O-N 3.04Å; N8-K11 PolarHBondContact OD1-N 3.35Å; N8-N36 PolarHBondContact O-ND2 3.25Å | ||
| 9 | K | 84.1 | Confident | 83.4 | Confident | 185 Ų | 185 | 85.8 Ų | 85.8 | 80% | 0.804 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.2 | -176.2 | -63.8 | -174 | 179.6 | -177.4 | 0 | 114.4 | L7 | L7-K9 PolarHBondContact O-N 2.81Š|
| 10 | T | 89.8 | Confident | 83.7 | Confident | 134 Ų | 134 | 89.8 Ų | 89.8 | 82% | 0.822 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -21.5 | 179.7 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | N8 | N8-T10 PolarHBondContact O-N 2.84Å; N8-T10 PolarHBondContact OD1-N 3.37Å; N8-T10 PolarHBondContact OD1-OG1 2.96Å |
| 11 | K | 94 | Very high | 83.8 | Confident | 58 Ų | 58 | 87.1 Ų | 87.1 | 25% | 0.252 | 44% | 0.438 | S | S | . | . | trans | -82.9 | 128 | 175.4 | -177.5 | 169.7 | 174.8 | 178.8 | 0 | 110.3 | N8 Y13 N36 D50 | N8-K11 HydrophobicContact CB-CB 4.24Å; N8-K11 PolarHBondContact O-N 3.04Å; N8-K11 PolarHBondContact OD1-N 3.35Å; K11-Y13 HydrophobicContact CB-CD2 4.49Å; K11-Y13 HydrophobicContact CB-CE2 4.02Å; K11-Y13 HydrophobicContact CD-CD1 4.3Å; K11-Y13 HydrophobicContact CD-CD2 4.35Å; K11-Y13 HydrophobicContact CD-CE1 3.87Å; K11-Y13 HydrophobicContact CD-CE2 3.88Å; K11-Y13 HydrophobicContact CG-CD2 4.01Å; K11-Y13 HydrophobicContact CG-CE2 3.82Å; K11-Y13 HydrophobicContact CG-CG 4.45Å; K11-N36 PolarHBondContact O-ND2 2.75Å; K11-D50 VanDerWaalsContact CE-OD1 3.25Å; K11-D50 WeakPolarHBondContact CE-OD1 3.41Å; K11-D50 IonicContact NZ-OD1 2.68Å; K11-D50 PolarHBondContact NZ-OD1 2.84Å | ||
| 12 | K | 95.6 | Very high | 85.7 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | trans | -96.2 | 113.8 | 165.4 | -166.2 | 77.9 | 177.3 | 170.6 | 0 | 108.1 | N35 N36 C37 V38 | K12-N35 PolarHBondContact NZ-O 3.47Å; K12-N36 CarbonylContact C-O 3.59Å; K12-N36 WeakPolarHBondContact CA-O 3.14Å; K12-C37 WeakPolarHBondContact CE-O 3.44Å; K12-C37 PolarHBondContact NZ-O 2.71Å; K12-V38 HydrophobicContact CD-CG2 4.15Å; K12-V38 HydrophobicContact CG-CG2 3.74Å | ||
| 13 | Y | 96.3 | Very high | 87.1 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.8 | -179 | -70.8 | -100.8 | 0 | 0 | 0 | 111 | K11 N36 C37 V38 D50 A291 N292 | K11-Y13 HydrophobicContact CB-CD2 4.49Å; K11-Y13 HydrophobicContact CB-CE2 4.02Å; K11-Y13 HydrophobicContact CD-CD1 4.3Å; K11-Y13 HydrophobicContact CD-CD2 4.35Å; K11-Y13 HydrophobicContact CD-CE1 3.87Å; K11-Y13 HydrophobicContact CD-CE2 3.88Å; K11-Y13 HydrophobicContact CG-CD2 4.01Å; K11-Y13 HydrophobicContact CG-CE2 3.82Å; K11-Y13 HydrophobicContact CG-CG 4.45Å; Y13-N36 PolarHBondContact N-O 3.06Å; Y13-C37 CarbonylContact O-C 3.54Å; Y13-C37 WeakPolarHBondContact O-CA 3.27Å; Y13-V38 PolarHBondContact O-N 2.79Å; Y13-D50 VanDerWaalsContact CA-OD2 3.26Å; Y13-D50 WeakPolarHBondContact CA-OD2 3.37Å; Y13-D50 HydrophobicContact CD1-CB 3.98Å; Y13-A291 HydrophobicContact CD1-CB 4.02Å; Y13-A291 VanDerWaalsContact CD1-O 3.31Å; Y13-A291 WeakPolarHBondContact CD1-O 3.45Å; Y13-A291 WeakPolarHBondContact CE1-O 3.25Å; Y13-A291 HydrophobicContact CG-CB 4.17Å; Y13-N292 HydrophobicContact CE2-CB 4.38Å; Y13-N292 WeakPolarHBondContact CE2-OD1 3.43Å |
| 14 | E | 97.4 | Very high | 88 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.2 | -177.7 | -176.8 | 172.4 | 169.3 | 0 | 0 | 111.1 | I16 H40 R45 D50 L51 | E14-I16 HydrophobicContact CG-CD1 4.06Å; E14-H40 IonicContact OE1-CE1 3.86Å; E14-H40 PolarHBondContact OE1-CE1 2.52Å; E14-H40 IonicContact OE1-NE2 2.72Å; E14-H40 PolarHBondContact OE1-NE2 3.45Å; E14-H40 VanDerWaalsContact OE1-NE2 3.17Å; E14-R45 WeakPolarHBondContact OE1-CB 3.4Å; E14-R45 IonicContact OE1-CZ 3.63Å; E14-R45 IonicContact OE1-NE 3.19Å; E14-R45 PolarHBondContact OE1-NE 3.41Å; E14-R45 IonicContact OE1-NH2 3.75Å; E14-R45 PolarHBondContact OE1-NH2 3.46Å; E14-R45 IonicContact OE2-CZ 2.82Å; E14-R45 IonicContact OE2-NE 3.54Å; E14-R45 IonicContact OE2-NH2 2.74Å; E14-R45 PolarHBondContact OE2-NH2 2.94Å; E14-D50 PolarHBondContact N-OD2 3.43Å; E14-D50 PolarHBondContact O-N 3.25Å; E14-L51 PolarHBondContact O-N 3.08Å |
| 15 | I | 98 | Very high | 88.8 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.7 | -176.8 | -53.2 | 179 | 0 | 0 | 0 | 109.2 | C37 V38 I39 H40 L51 L53 F287 A291 | I15-C37 HydrophobicContact CD1-CB 4.03Å; I15-V38 PolarHBondContact N-O 3.22Å; I15-I39 HydrophobicContact CB-CG1 4.08Å; I15-I39 HydrophobicContact CD1-CG1 4.15Å; I15-I39 HydrophobicContact CG2-CG1 4.45Å; I15-I39 HydrophobicContact CG2-CG2 4.46Å; I15-I39 WeakPolarHBondContact O-CA 3.33Å; I15-H40 PolarHBondContact O-N 3.39Å; I15-L51 CarbonylContact C-O 3.59Å; I15-L51 VanDerWaalsContact CA-O 3.29Å; I15-L51 WeakPolarHBondContact CA-O 3.47Å; I15-L51 HydrophobicContact CD1-CD2 4.35Å; I15-L51 HydrophobicContact CG1-CB 4.09Å; I15-L51 HydrophobicContact CG1-CD2 4.49Å; I15-L51 HydrophobicContact CG2-CB 4.26Å; I15-L51 HydrophobicContact CG2-CD2 4.23Å; I15-L53 HydrophobicContact CG2-CD1 4.04Å; I15-L53 HydrophobicContact CG2-CD2 4.35Å; I15-L53 HydrophobicContact CG2-CG 3.91Å; I15-F287 HydrophobicContact CD1-CB 4.08Å; I15-A291 HydrophobicContact CD1-CB 4.05Å; I15-A291 HydrophobicContact CG1-CB 4.28Å |
| 16 | I | 97.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.4 | -177.7 | -56.1 | -58.8 | 0 | 0 | 0 | 110.4 | E14 Y18 H40 R45 S49 L51 I52 L53 | E14-I16 HydrophobicContact CG-CD1 4.06Å; I16-Y18 HydrophobicContact CG2-CD2 4.31Å; I16-Y18 PolarHBondContact O-N 2.73Å; I16-H40 WeakPolarHBondContact CA-O 3.25Å; I16-H40 WeakPolarHBondContact CD1-CE1 3.49Å; I16-H40 VanDerWaalsContact CD1-ND1 3.3Å; I16-H40 WeakPolarHBondContact CD1-ND1 3.41Å; I16-R45 HydrophobicContact CD1-CB 4.3Å; I16-S49 VanDerWaalsContact CG1-CB 3.41Å; I16-L51 PolarHBondContact N-O 2.71Å; I16-I52 CarbonylContact O-C 3.55Å; I16-I52 WeakPolarHBondContact O-CA 3.27Å; I16-L53 PolarHBondContact O-N 2.77Å |
| 17 | I | 96.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 104.5 | 161.2 | -61.4 | 157.7 | 0 | 0 | 0 | 107.1 | G19 M21 M25 K27 I39 H40 T41 L53 | I17-G19 VanDerWaalsContact CG2-O 3.32Å; I17-G19 WeakPolarHBondContact CG2-O 3.47Å; I17-M21 HydrophobicContact CD1-SD 4.28Å; I17-M21 HydrophobicContact CG2-CG 3.9Å; I17-M21 HydrophobicContact CG2-SD 4.04Å; I17-M25 HydrophobicContact CD1-CE 3.85Å; I17-M25 HydrophobicContact CG1-CE 4.41Å; I17-K27 HydrophobicContact CD1-CD 4.35Å; I17-K27 HydrophobicContact CD1-CG 4.3Å; I17-I39 HydrophobicContact CD1-CG2 3.9Å; I17-I39 HydrophobicContact CG1-CG2 4.25Å; I17-H40 PolarHBondContact N-O 2.82Å; I17-T41 HydrophobicContact CB-CG2 3.87Å; I17-T41 HydrophobicContact CD1-CG2 4.18Å; I17-T41 HydrophobicContact CG2-CG2 4.19Å; I17-L53 HydrophobicContact CG1-CB 4.4Å; I17-L53 HydrophobicContact CG1-CD1 3.88Å |
| 18 | Y | 95.7 | Very high | 91.1 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | trans | -81.7 | -21.9 | -169.5 | -162.9 | -92.4 | 0 | 0 | 0 | 113.9 | I16 T43 W46 I52 L53 L58 F59 P60 | I16-Y18 HydrophobicContact CG2-CD2 4.31Å; I16-Y18 PolarHBondContact O-N 2.73Å; Y18-T43 HydrophobicContact CD2-CG2 4.13Å; Y18-T43 HydrophobicContact CE2-CG2 4.39Å; Y18-T43 HydrophobicContact CG-CG2 4.37Å; Y18-T43 WeakPolarHBondContact O-CG2 3.47Å; Y18-W46 HydrophobicContact CD2-CB 4.16Å; Y18-W46 HydrophobicContact CE2-CB 3.92Å; Y18-W46 HydrophobicContact CE2-CG 4.1Å; Y18-I52 HydrophobicContact CD2-CG2 4.34Å; Y18-I52 HydrophobicContact CG-CG2 4.26Å; Y18-L53 PolarHBondContact N-O 3.2Å; Y18-L58 HydrophobicContact CD1-CB 4.24Å; Y18-L58 WeakPolarHBondContact CD1-O 3.05Å; Y18-L58 HydrophobicContact CE1-CB 4.35Å; Y18-F59 VanDerWaalsContact CD1-CA 3.45Å; Y18-F59 WeakPolarHBondContact CE1-O 3.47Å; Y18-P60 HydrophobicContact CD2-CG 3.85Å; Y18-P60 HydrophobicContact CE1-CG 4.47Å; Y18-P60 HydrophobicContact CE2-CB 4.22Å; Y18-P60 HydrophobicContact CE2-CG 3.55Å; Y18-P60 HydrophobicContact CG-CG 4.43Å; Y18-P60 WeakPolarHBondContact OH-CA 3.43Å | ||
| 19 | G | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -127.5 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I17 M21 P55 | I17-G19 VanDerWaalsContact CG2-O 3.32Å; I17-G19 WeakPolarHBondContact CG2-O 3.47Å; G19-M21 PolarHBondContact O-N 3.18Å; G19-P55 WeakPolarHBondContact O-CG 3.41Å |
| 20 | Q | 88.5 | Confident | 92.2 | Very high | 166 Ų | 166 | 57.3 Ų | 57.3 | 78% | 0.776 | 32% | 0.317 | S | S | * | . | trans | -68.8 | 124.1 | 168.3 | -172.7 | 175.4 | 16.1 | 0 | 0 | 110.7 | N56 | Q20-N56 PolarHBondContact N-ND2 3.07Å; Q20-N56 VanDerWaalsContact N-ND2 3.15Å; Q20-N56 PolarHBondContact O-ND2 3.26Å | ||
| 21 | M | 85.7 | Confident | 92.5 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 17% | 0.167 | 31% | 0.305 | C | S | . | . | trans | -83.6 | 146.5 | 171.4 | -58.6 | -178.2 | 62.8 | 0 | 0 | 111 | I17 G19 A23 M25 P55 F73 | I17-M21 HydrophobicContact CD1-SD 4.28Å; I17-M21 HydrophobicContact CG2-CG 3.9Å; I17-M21 HydrophobicContact CG2-SD 4.04Å; G19-M21 PolarHBondContact O-N 3.18Å; M21-A23 WeakPolarHBondContact CB-O 3.39Å; M21-A23 WeakPolarHBondContact CE-O 2.92Å; M21-M25 HydrophobicContact CE-CB 3.85Å; M21-M25 HydrophobicContact SD-CB 3.94Å; M21-P55 HydrophobicContact CB-CB 4.47Å; M21-P55 HydrophobicContact CG-CB 3.86Å; M21-P55 HydrophobicContact CG-CG 3.94Å; M21-F73 HydrophobicContact CE-CD1 3.65Å; M21-F73 HydrophobicContact CE-CE1 3.07Å; M21-F73 HydrophobicContact CE-CZ 3.68Å; M21-F73 HydrophobicContact SD-CD1 4.42Å; M21-F73 HydrophobicContact SD-CE1 4.08Å | ||
| 22 | L | 78.3 | Confident | 92.6 | Very high | 121 Ų | 121 | 52.9 Ų | 52.9 | 63% | 0.634 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -77.1 | -35.4 | 173 | -65.4 | 178.6 | 0 | 0 | 0 | 112.1 | E76 | L22-E76 HydrophobicContact CD1-CB 4.22Å; L22-E76 HydrophobicContact CD1-CG 3.71Å |
| 23 | A | 79.1 | Confident | 92.4 | Very high | 36 Ų | 36 | 53 Ų | 53 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -106.8 | 143.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | M21 Y75 | M21-A23 WeakPolarHBondContact CB-O 3.39Å; M21-A23 WeakPolarHBondContact CE-O 2.92Å; A23-Y75 HydrophobicContact CB-CD2 3.82Å; A23-Y75 HydrophobicContact CB-CE2 4.35Å; A23-Y75 HydrophobicContact CB-CG 4.44Å |
| 24 | G | 82.8 | Confident | 92.4 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 79% | 0.794 | 31% | 0.311 | S | S | * | . | trans | -66.3 | 149.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 25 | M | 89.7 | Confident | 92.3 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | trans | -127.2 | 136.9 | 169.5 | -171.6 | -167.5 | 80.6 | 0 | 0 | 108.8 | I17 M21 I39 L53 F73 P283 E284 F287 | I17-M25 HydrophobicContact CD1-CE 3.85Å; I17-M25 HydrophobicContact CG1-CE 4.41Å; M21-M25 HydrophobicContact CE-CB 3.85Å; M21-M25 HydrophobicContact SD-CB 3.94Å; M25-I39 HydrophobicContact CE-CD1 4.07Å; M25-I39 HydrophobicContact CE-CG2 3.74Å; M25-L53 HydrophobicContact CE-CD1 4.15Å; M25-L53 HydrophobicContact SD-CD1 4.27Å; M25-F73 HydrophobicContact CB-CE1 4.42Å; M25-F73 HydrophobicContact CG-CE1 4.28Å; M25-F73 HydrophobicContact CG-CZ 4.49Å; M25-F73 HydrophobicContact SD-CD1 4.45Å; M25-F73 HydrophobicContact SD-CE1 3.51Å; M25-F73 VanDerWaalsContact SD-CE1 3.51Å; M25-F73 HydrophobicContact SD-CZ 4.09Å; M25-P283 HydrophobicContact CG-CB 4.28Å; M25-P283 HydrophobicContact CG-CG 4.43Å; M25-P283 HydrophobicContact SD-CB 4.05Å; M25-E284 HydrophobicContact CE-CB 4.45Å; M25-F287 HydrophobicContact CE-CD2 4.35Å; M25-F287 HydrophobicContact SD-CD2 3.77Å; M25-F287 HydrophobicContact SD-CE2 3.5Å; M25-F287 WeakPolarHBondContact SD-CE2 3.42Å | ||
| 26 | N | 93.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 57 Ų | 57 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | trans | -59.7 | 140.5 | 168.5 | -177.7 | 19.7 | 0 | 0 | 0 | 109.4 | D28 E284 | N26-D28 PolarHBondContact ND2-O 3.37Å; N26-D28 WeakPolarHBondContact OD1-CB 3.28Å; N26-D28 PolarHBondContact OD1-N 3.36Å; N26-E284 HydrophobicContact CB-CG 4.34Å; N26-E284 PolarHBondContact ND2-OE1 2.77Å; N26-E284 VanDerWaalsContact O-CB 3.31Å; N26-E284 WeakPolarHBondContact O-CB 2.99Å | ||
| 27 | K | 95.9 | Very high | 92.2 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | trans | -111.4 | -9.2 | 178 | -61.3 | 177.2 | -169.1 | 171.1 | 0 | 112 | I17 V29 I39 T41 | I17-K27 HydrophobicContact CD1-CD 4.35Å; I17-K27 HydrophobicContact CD1-CG 4.3Å; K27-V29 PolarHBondContact O-N 3.47Å; K27-I39 HydrophobicContact CB-CB 4.1Å; K27-I39 HydrophobicContact CB-CG2 4.23Å; K27-I39 HydrophobicContact CG-CB 4.44Å; K27-I39 HydrophobicContact CG-CG2 4.02Å; K27-T41 VanDerWaalsContact NZ-CG2 3.25Å | ||
| 28 | D | 96.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 60 Ų | 60 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | trans | -82 | 108.4 | -180 | -176.3 | 6.7 | 0 | 0 | 0 | 110.4 | N26 T30 | N26-D28 PolarHBondContact ND2-O 3.37Å; N26-D28 WeakPolarHBondContact OD1-CB 3.28Å; N26-D28 PolarHBondContact OD1-N 3.36Å; D28-T30 WeakPolarHBondContact OD1-CB 3.3Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.41Å; D28-T30 PolarHBondContact OD1-N 3.04Å; D28-T30 PolarHBondContact OD1-OG1 3.34Å; D28-T30 PolarHBondContact OD2-OG1 3.11Å; D28-T30 VanDerWaalsContact OD2-OG1 3.07Å | ||
| 29 | V | 96.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | trans | -92.4 | 2 | 177.6 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | K27 T31 C32 N35 C37 I39 E284 C288 | K27-V29 PolarHBondContact O-N 3.47Å; V29-T31 PolarHBondContact O-N 3.28Å; V29-C32 HydrophobicContact CB-CB 4.44Å; V29-C32 VanDerWaalsContact O-CB 3.25Å; V29-C32 WeakPolarHBondContact O-CB 3.46Å; V29-C32 PolarHBondContact O-N 3.1Å; V29-N35 HydrophobicContact CG2-CB 4.37Å; V29-N35 WeakPolarHBondContact O-CB 3.02Å; V29-C37 VanDerWaalsContact CG2-O 3.28Å; V29-C37 WeakPolarHBondContact CG2-O 2.9Å; V29-I39 HydrophobicContact CG1-CD1 3.61Å; V29-I39 HydrophobicContact CG1-CG1 4.09Å; V29-E284 HydrophobicContact CG1-CB 4.28Å; V29-E284 HydrophobicContact CG1-CG 4.5Å; V29-C288 HydrophobicContact CG1-CB 4.38Å | ||
| 30 | T | 96.3 | Very high | 92.5 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 58% | 0.577 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32.7 | -174 | 56.4 | 0 | 0 | 0 | 0 | 113 | D28 | D28-T30 WeakPolarHBondContact OD1-CB 3.3Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.41Å; D28-T30 PolarHBondContact OD1-N 3.04Å; D28-T30 PolarHBondContact OD1-OG1 3.34Å; D28-T30 PolarHBondContact OD2-OG1 3.11Å; D28-T30 VanDerWaalsContact OD2-OG1 3.07Å |
| 31 | T | 95.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 56% | 0.564 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.3 | 177.8 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | V29 | V29-T31 PolarHBondContact O-N 3.28Š|
| 32 | C | 96.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -80.3 | 149.1 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | V29 V34 C285 | V29-C32 HydrophobicContact CB-CB 4.44Å; V29-C32 VanDerWaalsContact O-CB 3.25Å; V29-C32 WeakPolarHBondContact O-CB 3.46Å; V29-C32 PolarHBondContact O-N 3.1Å; C32-V34 WeakPolarHBondContact CB-O 2.99Å; C32-V34 PolarHBondContact O-N 2.9Å; C32-C285 VanDerWaalsContact CA-SG 3.56Å; C32-C285 HydrophobicContact CB-CB 3.66Å; C32-C285 WeakPolarHBondContact CB-SG 3.39Å; C32-C285 WeakPolarHBondContact SG-CA 3.21Å; C32-C285 WeakPolarHBondContact SG-CB 3.27Å; C32-C285 CovalentContact SG-SG 2.04Å; C32-C285 PolarHBondContact SG-SG 2.79Å |
| 33 | P | 93.2 | Very high | 94.1 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 78% | 0.779 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -57.8 | -31.9 | 173.7 | -25.4 | 34.6 | 0 | 0 | 0 | 113.6 | ||
| 34 | V | 94.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | trans | -116.5 | 121.5 | 169.6 | -177 | 0 | 0 | 0 | 0 | 107.7 | L7 C32 N36 C288 I289 N292 | L7-V34 HydrophobicContact CD1-CG1 4.45Å; L7-V34 HydrophobicContact CD1-CG2 4.07Å; L7-V34 HydrophobicContact CD2-CG1 3.96Å; L7-V34 HydrophobicContact CD2-CG2 4.15Å; C32-V34 WeakPolarHBondContact CB-O 2.99Å; C32-V34 PolarHBondContact O-N 2.9Å; V34-N36 VanDerWaalsContact CG1-OD1 3.26Å; V34-N36 WeakPolarHBondContact CG1-OD1 3.13Å; V34-C288 PolarHBondContact O-SG 3.17Å; V34-C288 VanDerWaalsContact O-SG 3.35Å; V34-I289 HydrophobicContact CB-CG1 3.92Å; V34-I289 HydrophobicContact CG2-CG1 3.77Å; V34-N292 VanDerWaalsContact CG1-ND2 3.32Å; V34-N292 WeakPolarHBondContact CG1-ND2 3.44Å | ||
| 35 | N | 95.4 | Very high | 95.5 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | trans | -135.7 | 8.3 | -168.9 | 64.7 | 10.3 | 0 | 0 | 0 | 114.1 | K12 V29 C37 | K12-N35 PolarHBondContact NZ-O 3.47Å; V29-N35 HydrophobicContact CG2-CB 4.37Å; V29-N35 WeakPolarHBondContact O-CB 3.02Å; N35-C37 PolarHBondContact O-N 2.63Å | ||
| 36 | N | 96.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 59 Ų | 59 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | trans | -78 | 39.6 | 173.6 | 66.8 | -38.7 | 0 | 0 | 0 | 112.2 | N8 K11 K12 Y13 V34 N292 | N8-N36 PolarHBondContact O-ND2 3.25Å; K11-N36 PolarHBondContact O-ND2 2.75Å; K12-N36 CarbonylContact C-O 3.59Å; K12-N36 WeakPolarHBondContact CA-O 3.14Å; Y13-N36 PolarHBondContact N-O 3.06Å; V34-N36 VanDerWaalsContact CG1-OD1 3.26Å; V34-N36 WeakPolarHBondContact CG1-OD1 3.13Å; N36-N292 PolarHBondContact ND2-OD1 2.76Å; N36-N292 PolarHBondContact OD1-ND2 3.09Å; N36-N292 PolarHBondContact OD1-OD1 3.04Å | ||
| 37 | C | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.2 | 174.4 | -48.9 | 0 | 0 | 0 | 0 | 112 | K12 Y13 I15 V29 N35 C288 | K12-C37 WeakPolarHBondContact CE-O 3.44Å; K12-C37 PolarHBondContact NZ-O 2.71Å; Y13-C37 CarbonylContact O-C 3.54Å; Y13-C37 WeakPolarHBondContact O-CA 3.27Å; I15-C37 HydrophobicContact CD1-CB 4.03Å; V29-C37 VanDerWaalsContact CG2-O 3.28Å; V29-C37 WeakPolarHBondContact CG2-O 2.9Å; N35-C37 PolarHBondContact O-N 2.63Å; C37-C288 HydrophobicContact CB-CB 3.78Å; C37-C288 WeakPolarHBondContact CB-SG 3.49Å; C37-C288 WeakPolarHBondContact SG-CA 3.06Å; C37-C288 WeakPolarHBondContact SG-CB 3.39Å; C37-C288 CovalentContact SG-SG 2.04Å; C37-C288 PolarHBondContact SG-SG 2.62Å |
| 38 | V | 97.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.7 | 165 | -168.8 | 0 | 0 | 0 | 0 | 107.8 | K12 Y13 I15 | K12-V38 HydrophobicContact CD-CG2 4.15Å; K12-V38 HydrophobicContact CG-CG2 3.74Å; Y13-V38 PolarHBondContact O-N 2.79Å; I15-V38 PolarHBondContact N-O 3.22Å |
| 39 | I | 97.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.8 | 176.8 | -52.9 | 179.9 | 0 | 0 | 0 | 108.7 | I15 I17 M25 K27 V29 E284 | I15-I39 HydrophobicContact CB-CG1 4.08Å; I15-I39 HydrophobicContact CD1-CG1 4.15Å; I15-I39 HydrophobicContact CG2-CG1 4.45Å; I15-I39 HydrophobicContact CG2-CG2 4.46Å; I15-I39 WeakPolarHBondContact O-CA 3.33Å; I17-I39 HydrophobicContact CD1-CG2 3.9Å; I17-I39 HydrophobicContact CG1-CG2 4.25Å; M25-I39 HydrophobicContact CE-CD1 4.07Å; M25-I39 HydrophobicContact CE-CG2 3.74Å; K27-I39 HydrophobicContact CB-CB 4.1Å; K27-I39 HydrophobicContact CB-CG2 4.23Å; K27-I39 HydrophobicContact CG-CB 4.44Å; K27-I39 HydrophobicContact CG-CG2 4.02Å; V29-I39 HydrophobicContact CG1-CD1 3.61Å; V29-I39 HydrophobicContact CG1-CG1 4.09Å; I39-E284 HydrophobicContact CD1-CB 3.7Å |
| 40 | H | 95.2 | Very high | 95.7 | Very high | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 174.2 | 176 | 55 | 87 | 0 | 0 | 0 | 113.1 | E14 I15 I16 I17 | E14-H40 IonicContact OE1-CE1 3.86Å; E14-H40 PolarHBondContact OE1-CE1 2.52Å; E14-H40 IonicContact OE1-NE2 2.72Å; E14-H40 PolarHBondContact OE1-NE2 3.45Å; E14-H40 VanDerWaalsContact OE1-NE2 3.17Å; I15-H40 PolarHBondContact O-N 3.39Å; I16-H40 WeakPolarHBondContact CA-O 3.25Å; I16-H40 WeakPolarHBondContact CD1-CE1 3.49Å; I16-H40 VanDerWaalsContact CD1-ND1 3.3Å; I16-H40 WeakPolarHBondContact CD1-ND1 3.41Å; I17-H40 PolarHBondContact N-O 2.82Å |
| 41 | T | 95.6 | Very high | 95.7 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | trans | -110.3 | 5.7 | -175.4 | 44.8 | 0 | 0 | 0 | 0 | 113 | I17 K27 T43 | I17-T41 HydrophobicContact CB-CG2 3.87Å; I17-T41 HydrophobicContact CD1-CG2 4.18Å; I17-T41 HydrophobicContact CG2-CG2 4.19Å; K27-T41 VanDerWaalsContact NZ-CG2 3.25Å; T41-T43 PolarHBondContact O-N 3.37Å | ||
| 42 | D | 95.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | trans | -69.9 | 96.9 | 172.5 | -180 | 4.1 | 0 | 0 | 0 | 109.8 | T44 R45 | D42-T44 PolarHBondContact O-N 3.26Å; D42-T44 WeakPolarHBondContact OD1-CB 3.36Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.29Å; D42-T44 PolarHBondContact OD1-N 3.41Å; D42-T44 PolarHBondContact OD1-OG1 3.12Å; D42-T44 PolarHBondContact OD2-OG1 3.08Å; D42-R45 PolarHBondContact O-N 2.67Å; D42-R45 WeakPolarHBondContact OD2-CD 3.16Å; D42-R45 WeakPolarHBondContact OD2-CG 3.32Å | ||
| 43 | T | 95.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -70.3 | -16.1 | -176.7 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | Y18 T41 R45 W46 | Y18-T43 HydrophobicContact CD2-CG2 4.13Å; Y18-T43 HydrophobicContact CE2-CG2 4.39Å; Y18-T43 HydrophobicContact CG-CG2 4.37Å; Y18-T43 WeakPolarHBondContact O-CG2 3.47Å; T41-T43 PolarHBondContact O-N 3.37Å; T43-R45 PolarHBondContact O-N 3.02Å; T43-W46 WeakPolarHBondContact O-CB 3.47Å; T43-W46 PolarHBondContact O-N 3.28Å |
| 44 | T | 95.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 64% | 0.644 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -67.9 | -24.4 | 179.8 | 70.7 | 0 | 0 | 0 | 0 | 112.4 | D42 W46 | D42-T44 PolarHBondContact O-N 3.26Å; D42-T44 WeakPolarHBondContact OD1-CB 3.36Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.29Å; D42-T44 PolarHBondContact OD1-N 3.41Å; D42-T44 PolarHBondContact OD1-OG1 3.12Å; D42-T44 PolarHBondContact OD2-OG1 3.08Å; T44-W46 VanDerWaalsContact C-N 3.29Å; T44-W46 PolarHBondContact O-N 3Å |
| 45 | R | 95.1 | Very high | 96 | Very high | 115 Ų | 115 | 42.5 Ų | 42.5 | 43% | 0.434 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -84.4 | 0.6 | -179.9 | -63 | -179.9 | 54.4 | 164.1 | 3.6 | 114.3 | E14 I16 D42 T43 I47 N48 S49 | E14-R45 WeakPolarHBondContact OE1-CB 3.4Å; E14-R45 IonicContact OE1-CZ 3.63Å; E14-R45 IonicContact OE1-NE 3.19Å; E14-R45 PolarHBondContact OE1-NE 3.41Å; E14-R45 IonicContact OE1-NH2 3.75Å; E14-R45 PolarHBondContact OE1-NH2 3.46Å; E14-R45 IonicContact OE2-CZ 2.82Å; E14-R45 IonicContact OE2-NE 3.54Å; E14-R45 IonicContact OE2-NH2 2.74Å; E14-R45 PolarHBondContact OE2-NH2 2.94Å; I16-R45 HydrophobicContact CD1-CB 4.3Å; D42-R45 PolarHBondContact O-N 2.67Å; D42-R45 WeakPolarHBondContact OD2-CD 3.16Å; D42-R45 WeakPolarHBondContact OD2-CG 3.32Å; T43-R45 PolarHBondContact O-N 3.02Å; R45-I47 PolarHBondContact O-N 2.88Å; R45-N48 PolarHBondContact O-N 3.38Å; R45-S49 PolarHBondContact O-N 2.93Å |
| 46 | W | 95.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 15% | 0.148 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -50.5 | -37.3 | -175.4 | 78.4 | -90.6 | 0 | 0 | 0 | 113 | Y18 T43 T44 N48 S49 I52 P60 Q68 | Y18-W46 HydrophobicContact CD2-CB 4.16Å; Y18-W46 HydrophobicContact CE2-CB 3.92Å; Y18-W46 HydrophobicContact CE2-CG 4.1Å; T43-W46 WeakPolarHBondContact O-CB 3.47Å; T43-W46 PolarHBondContact O-N 3.28Å; T44-W46 VanDerWaalsContact C-N 3.29Å; T44-W46 PolarHBondContact O-N 3Å; W46-N48 VanDerWaalsContact C-N 3.26Å; W46-N48 PolarHBondContact O-N 3.41Å; W46-S49 PolarHBondContact O-N 3Å; W46-S49 PolarHBondContact O-OG 3.46Å; W46-I52 HydrophobicContact CB-CD1 3.91Å; W46-I52 HydrophobicContact CE3-CD1 4.13Å; W46-P60 HydrophobicContact CB-CG 4.2Å; W46-P60 HydrophobicContact CD2-CB 3.48Å; W46-P60 VanDerWaalsContact CD2-CB 3.48Å; W46-P60 HydrophobicContact CD2-CG 3.78Å; W46-P60 HydrophobicContact CE3-CB 3.42Å; W46-P60 VanDerWaalsContact CE3-CB 3.42Å; W46-P60 HydrophobicContact CE3-CG 3.64Å; W46-P60 HydrophobicContact CG-CB 4.1Å; W46-P60 HydrophobicContact CG-CG 4.03Å; W46-P60 HydrophobicContact CH2-CB 4Å; W46-P60 HydrophobicContact CZ2-CB 4.06Å; W46-P60 HydrophobicContact CZ3-CB 3.69Å; W46-P60 HydrophobicContact CZ3-CG 4.3Å; W46-Q68 PolarHBondContact O-NE2 2.83Å |
| 47 | I | 95.5 | Very high | 95.7 | Very high | 76 Ų | 76 | 46.6 Ų | 46.6 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -63.4 | -29.5 | -176.4 | -166.7 | 65.8 | 0 | 0 | 0 | 113.7 | R45 P65 | R45-I47 PolarHBondContact O-N 2.88Å; I47-P65 HydrophobicContact CD1-CG 4Å; I47-P65 VanDerWaalsContact O-CG 3.28Å; I47-P65 WeakPolarHBondContact O-CG 3.34Å |
| 48 | N | 94.4 | Very high | 95.5 | Very high | 127 Ų | 127 | 50.9 Ų | 50.9 | 68% | 0.679 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -100 | -4.4 | -179 | -65.2 | -36.9 | 0 | 0 | 0 | 112.7 | R45 W46 | R45-N48 PolarHBondContact O-N 3.38Å; W46-N48 VanDerWaalsContact C-N 3.26Å; W46-N48 PolarHBondContact O-N 3.41Å |
| 49 | S | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | trans | -76 | 152.3 | -178.5 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | I16 R45 W46 I52 Q68 | I16-S49 VanDerWaalsContact CG1-CB 3.41Å; R45-S49 PolarHBondContact O-N 2.93Å; W46-S49 PolarHBondContact O-N 3Å; W46-S49 PolarHBondContact O-OG 3.46Å; S49-I52 WeakPolarHBondContact OG-CG1 3.32Å; S49-Q68 PolarHBondContact O-NE2 3.27Å; S49-Q68 PolarHBondContact OG-NE2 2.87Å | ||
| 50 | D | 95.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -87.4 | -39.2 | 177.5 | -61.3 | -79.8 | 0 | 0 | 0 | 111.8 | K11 Y13 E14 Q68 A69 L294 | K11-D50 VanDerWaalsContact CE-OD1 3.25Å; K11-D50 WeakPolarHBondContact CE-OD1 3.41Å; K11-D50 IonicContact NZ-OD1 2.68Å; K11-D50 PolarHBondContact NZ-OD1 2.84Å; Y13-D50 VanDerWaalsContact CA-OD2 3.26Å; Y13-D50 WeakPolarHBondContact CA-OD2 3.37Å; Y13-D50 HydrophobicContact CD1-CB 3.98Å; E14-D50 PolarHBondContact N-OD2 3.43Å; E14-D50 PolarHBondContact O-N 3.25Å; D50-Q68 WeakPolarHBondContact O-CA 3.46Å; D50-A69 PolarHBondContact O-N 3.08Å; D50-L294 HydrophobicContact CB-CD1 4.32Å; D50-L294 WeakPolarHBondContact O-CD1 3.2Å |
| 51 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.5 | -176.9 | -162.8 | 74.1 | 0 | 0 | 0 | 110.7 | E14 I15 I16 L53 A69 V71 F287 L290 A291 L294 | E14-L51 PolarHBondContact O-N 3.08Å; I15-L51 CarbonylContact C-O 3.59Å; I15-L51 VanDerWaalsContact CA-O 3.29Å; I15-L51 WeakPolarHBondContact CA-O 3.47Å; I15-L51 HydrophobicContact CD1-CD2 4.35Å; I15-L51 HydrophobicContact CG1-CB 4.09Å; I15-L51 HydrophobicContact CG1-CD2 4.49Å; I15-L51 HydrophobicContact CG2-CB 4.26Å; I15-L51 HydrophobicContact CG2-CD2 4.23Å; I16-L51 PolarHBondContact N-O 2.71Å; L51-L53 HydrophobicContact CD2-CD2 4.07Å; L51-L53 HydrophobicContact CG-CD2 4.44Å; L51-A69 CarbonylContact C-O 3.52Å; L51-A69 WeakPolarHBondContact CA-O 3.28Å; L51-A69 HydrophobicContact CD1-CB 3.84Å; L51-V71 HydrophobicContact CD1-CG2 3.55Å; L51-V71 HydrophobicContact CD2-CG2 3.96Å; L51-V71 HydrophobicContact CG-CG2 3.78Å; L51-F287 HydrophobicContact CD2-CB 4.14Å; L51-F287 HydrophobicContact CD2-CD1 4.48Å; L51-L290 HydrophobicContact CD1-CD2 4.14Å; L51-L290 HydrophobicContact CD1-CG 4.38Å; L51-L290 HydrophobicContact CD2-CD2 4.2Å; L51-A291 HydrophobicContact CB-CB 4.46Å; L51-L294 HydrophobicContact CD1-CD1 4.34Å; L51-L294 HydrophobicContact CD1-CD2 4.29Å |
| 52 | I | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.7 | 175.7 | -57.9 | -169.9 | 0 | 0 | 0 | 109.3 | I16 Y18 W46 S49 I54 P60 Q68 A69 W70 V71 | I16-I52 CarbonylContact O-C 3.55Å; I16-I52 WeakPolarHBondContact O-CA 3.27Å; Y18-I52 HydrophobicContact CD2-CG2 4.34Å; Y18-I52 HydrophobicContact CG-CG2 4.26Å; W46-I52 HydrophobicContact CB-CD1 3.91Å; W46-I52 HydrophobicContact CE3-CD1 4.13Å; S49-I52 WeakPolarHBondContact OG-CG1 3.32Å; I52-I54 HydrophobicContact CG2-CG1 4Å; I52-P60 HydrophobicContact CD1-CG 3.65Å; I52-Q68 VanDerWaalsContact CD1-CD 3.46Å; I52-Q68 HydrophobicContact CD1-CG 4.35Å; I52-Q68 HydrophobicContact CG1-CG 4.22Å; I52-A69 PolarHBondContact N-O 3.33Å; I52-W70 HydrophobicContact CB-CG 4.37Å; I52-W70 CarbonylContact O-C 3.6Å; I52-W70 WeakPolarHBondContact O-CA 3.39Å; I52-V71 PolarHBondContact O-N 2.9Å |
| 53 | L | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.1 | 170.2 | -49.5 | -177.8 | 0 | 0 | 0 | 108.7 | I15 I16 I17 Y18 M25 L51 P55 V71 F73 F287 | I15-L53 HydrophobicContact CG2-CD1 4.04Å; I15-L53 HydrophobicContact CG2-CD2 4.35Å; I15-L53 HydrophobicContact CG2-CG 3.91Å; I16-L53 PolarHBondContact O-N 2.77Å; I17-L53 HydrophobicContact CG1-CB 4.4Å; I17-L53 HydrophobicContact CG1-CD1 3.88Å; Y18-L53 PolarHBondContact N-O 3.2Å; M25-L53 HydrophobicContact CE-CD1 4.15Å; M25-L53 HydrophobicContact SD-CD1 4.27Å; L51-L53 HydrophobicContact CD2-CD2 4.07Å; L51-L53 HydrophobicContact CG-CD2 4.44Å; L53-P55 WeakPolarHBondContact O-CD 3.35Å; L53-V71 HydrophobicContact CD2-CB 3.77Å; L53-V71 HydrophobicContact CD2-CG1 4.33Å; L53-V71 HydrophobicContact CD2-CG2 3.92Å; L53-F73 HydrophobicContact CD1-CD1 4.25Å; L53-F287 HydrophobicContact CD1-CD2 3.57Å; L53-F287 HydrophobicContact CD1-CE2 3.63Å; L53-F287 HydrophobicContact CD1-CG 4.19Å; L53-F287 HydrophobicContact CD1-CZ 4.29Å; L53-F287 HydrophobicContact CD2-CD1 3.83Å; L53-F287 HydrophobicContact CD2-CD2 4.09Å; L53-F287 HydrophobicContact CD2-CE1 3.91Å; L53-F287 HydrophobicContact CD2-CE2 4.15Å; L53-F287 HydrophobicContact CD2-CG 3.94Å; L53-F287 HydrophobicContact CD2-CZ 4.07Å; L53-F287 HydrophobicContact CG-CD2 4.5Å |
| 54 | I | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 103.3 | -179.5 | -61.2 | 178 | 0 | 0 | 0 | 107.1 | I52 N56 F59 W70 V71 A72 F73 F83 L87 I91 | I52-I54 HydrophobicContact CG2-CG1 4Å; I54-N56 VanDerWaalsContact CG2-O 3.27Å; I54-N56 WeakPolarHBondContact CG2-O 3.49Å; I54-F59 HydrophobicContact CD1-CB 3.91Å; I54-W70 HydrophobicContact CD1-CB 3.9Å; I54-W70 HydrophobicContact CD1-CD2 3.7Å; I54-W70 HydrophobicContact CD1-CE3 3.27Å; I54-W70 HydrophobicContact CD1-CG 4Å; I54-W70 HydrophobicContact CD1-CZ3 3.97Å; I54-V71 PolarHBondContact N-O 3.44Å; I54-A72 WeakPolarHBondContact O-CA 3.25Å; I54-F73 PolarHBondContact O-N 2.81Å; I54-F83 HydrophobicContact CG2-CE1 4.39Å; I54-F83 VanDerWaalsContact O-CE1 3.31Å; I54-F83 WeakPolarHBondContact O-CE1 3.39Å; I54-L87 HydrophobicContact CD1-CD2 3.96Å; I54-L87 HydrophobicContact CG2-CD1 3.94Å; I54-L87 HydrophobicContact CG2-CD2 4.11Å; I54-I91 HydrophobicContact CD1-CD1 3.98Å |
| 55 | P | 95 | Very high | 94.2 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | trans | -95.9 | -2.5 | -179.4 | 36.2 | -35.4 | 0 | 0 | 0 | 114.2 | G19 M21 L53 F73 | G19-P55 WeakPolarHBondContact O-CG 3.41Å; M21-P55 HydrophobicContact CB-CB 4.47Å; M21-P55 HydrophobicContact CG-CB 3.86Å; M21-P55 HydrophobicContact CG-CG 3.94Å; L53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-F73 WeakPolarHBondContact CA-O 3.32Å; P55-F73 WeakPolarHBondContact CB-O 3.44Å | ||
| 56 | N | 92.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -159 | -159.3 | -176.5 | 62 | 42.8 | 0 | 0 | 0 | 111.1 | Q20 I54 L58 R82 | Q20-N56 PolarHBondContact N-ND2 3.07Å; Q20-N56 VanDerWaalsContact N-ND2 3.15Å; Q20-N56 PolarHBondContact O-ND2 3.26Å; I54-N56 VanDerWaalsContact CG2-O 3.27Å; I54-N56 WeakPolarHBondContact CG2-O 3.49Å; N56-L58 PolarHBondContact O-N 3Å; N56-L58 VanDerWaalsContact OD1-CB 3.29Å; N56-L58 WeakPolarHBondContact OD1-CB 3.43Å; N56-L58 WeakPolarHBondContact OD1-CG 3.46Å; N56-L58 PolarHBondContact OD1-N 3.42Å; N56-R82 CarbonylContact C-O 3.56Å |
| 57 | R | 92.7 | Very high | 93.5 | Very high | 161 Ų | 161 | 63.9 Ų | 63.9 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -66.8 | -17 | 179.8 | 57 | -178.1 | -173.6 | 179.5 | 4.3 | 115.2 | F59 R82 | R57-F59 VanDerWaalsContact O-CD1 3.23Å; R57-F59 WeakPolarHBondContact O-CD1 3.47Å; R57-R82 WeakPolarHBondContact CA-O 3.45Å; R57-R82 WeakPolarHBondContact CB-O 3.49Å; R57-R82 PolarHBondContact N-O 3.31Å |
| 58 | L | 93.7 | Very high | 93.4 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | trans | -83.9 | 128.8 | -175.2 | -58 | 178.8 | 0 | 0 | 0 | 109.8 | Y18 N56 | Y18-L58 HydrophobicContact CD1-CB 4.24Å; Y18-L58 WeakPolarHBondContact CD1-O 3.05Å; Y18-L58 HydrophobicContact CE1-CB 4.35Å; N56-L58 PolarHBondContact O-N 3Å; N56-L58 VanDerWaalsContact OD1-CB 3.29Å; N56-L58 WeakPolarHBondContact OD1-CB 3.43Å; N56-L58 WeakPolarHBondContact OD1-CG 3.46Å; N56-L58 PolarHBondContact OD1-N 3.42Å | ||
| 59 | F | 94.7 | Very high | 93.4 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | trans | -149.2 | 162.6 | 175.3 | 60.3 | -92.8 | 0 | 0 | 0 | 109.9 | Y18 I54 R57 W70 E86 L87 K90 | Y18-F59 VanDerWaalsContact CD1-CA 3.45Å; Y18-F59 WeakPolarHBondContact CE1-O 3.47Å; I54-F59 HydrophobicContact CD1-CB 3.91Å; R57-F59 VanDerWaalsContact O-CD1 3.23Å; R57-F59 WeakPolarHBondContact O-CD1 3.47Å; F59-W70 HydrophobicContact CB-CH2 4.2Å; F59-W70 HydrophobicContact CB-CZ3 3.81Å; F59-W70 AromaticContact CD2-CH2 3.84Å; F59-W70 HydrophobicContact CD2-CH2 3.84Å; F59-W70 AromaticContact CD2-CZ3 3.75Å; F59-W70 HydrophobicContact CD2-CZ3 3.75Å; F59-W70 HydrophobicContact CG-CH2 4.43Å; F59-W70 HydrophobicContact CG-CZ3 4.04Å; F59-E86 HydrophobicContact CE1-CB 4.01Å; F59-E86 HydrophobicContact CZ-CB 3.81Å; F59-E86 WeakPolarHBondContact CZ-OE2 3.43Å; F59-L87 HydrophobicContact CB-CD2 3.88Å; F59-L87 HydrophobicContact CD1-CD2 3.43Å; F59-L87 VanDerWaalsContact CD1-CD2 3.43Å; F59-L87 HydrophobicContact CD1-CG 3.99Å; F59-L87 HydrophobicContact CE1-CD2 4.13Å; F59-L87 HydrophobicContact CE1-CG 4.36Å; F59-L87 HydrophobicContact CG-CD2 3.69Å; F59-K90 HydrophobicContact CD2-CD 4.43Å; F59-K90 HydrophobicContact CE2-CD 4.27Å | ||
| 60 | P | 95.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | trans | -59.5 | 136.3 | 177.7 | -22.7 | 29.7 | 0 | 0 | 0 | 114 | Y18 W46 I52 W70 | Y18-P60 HydrophobicContact CD2-CG 3.85Å; Y18-P60 HydrophobicContact CE1-CG 4.47Å; Y18-P60 HydrophobicContact CE2-CB 4.22Å; Y18-P60 HydrophobicContact CE2-CG 3.55Å; Y18-P60 HydrophobicContact CG-CG 4.43Å; Y18-P60 WeakPolarHBondContact OH-CA 3.43Å; W46-P60 HydrophobicContact CB-CG 4.2Å; W46-P60 HydrophobicContact CD2-CB 3.48Å; W46-P60 VanDerWaalsContact CD2-CB 3.48Å; W46-P60 HydrophobicContact CD2-CG 3.78Å; W46-P60 HydrophobicContact CE3-CB 3.42Å; W46-P60 VanDerWaalsContact CE3-CB 3.42Å; W46-P60 HydrophobicContact CE3-CG 3.64Å; W46-P60 HydrophobicContact CG-CB 4.1Å; W46-P60 HydrophobicContact CG-CG 4.03Å; W46-P60 HydrophobicContact CH2-CB 4Å; W46-P60 HydrophobicContact CZ2-CB 4.06Å; W46-P60 HydrophobicContact CZ3-CB 3.69Å; W46-P60 HydrophobicContact CZ3-CG 4.3Å; I52-P60 HydrophobicContact CD1-CG 3.65Å; P60-W70 HydrophobicContact CB-CH2 4.22Å; P60-W70 HydrophobicContact CB-CZ2 3.91Å; P60-W70 HydrophobicContact CG-CH2 4.21Å; P60-W70 HydrophobicContact CG-CZ2 3.73Å | ||
| 61 | S | 91.3 | Very high | 93.4 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 86% | 0.86 | 27% | 0.267 | S | S | * | . | trans | -83.5 | -16.6 | 178.2 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 62 | G | 89.7 | Confident | 93.4 | Very high | 33 Ų | 33 | 54 Ų | 54 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -82.1 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | R64 | G62-R64 PolarHBondContact O-N 3.43Š|
| 63 | K | 90.3 | Very high | 93.3 | Very high | 195 Ų | 195 | 54 Ų | 54 | 85% | 0.848 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 123.1 | 173.6 | -176 | 176.1 | -179.6 | 177.9 | 0 | 109.8 | P65 | K63-P65 WeakPolarHBondContact O-CD 3.41Š|
| 64 | R | 91.7 | Very high | 93.1 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 125.9 | 176.6 | -175.3 | 173.8 | 66.1 | -163.5 | -6.2 | 110.8 | G62 Q68 W70 K90 N92 | G62-R64 PolarHBondContact O-N 3.43Å; R64-Q68 WeakPolarHBondContact CD-O 3.43Å; R64-Q68 HydrophobicContact CG-CB 4.13Å; R64-Q68 HydrophobicContact CG-CG 4.35Å; R64-W70 HydrophobicContact CB-CZ2 4.48Å; R64-K90 PolarHBondContact NH1-O 2.03Å; R64-N92 PolarHBondContact NH1-ND2 3.09Å; R64-N92 PolarHBondContact NH1-OD1 3.15Å |
| 65 | P | 92.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 145.5 | 170.6 | -23.4 | 32.1 | 0 | 0 | 0 | 112.1 | I47 K63 Q67 Q68 | I47-P65 HydrophobicContact CD1-CG 4Å; I47-P65 VanDerWaalsContact O-CG 3.28Å; I47-P65 WeakPolarHBondContact O-CG 3.34Å; K63-P65 WeakPolarHBondContact O-CD 3.41Å; P65-Q67 VanDerWaalsContact C-N 3.26Å; P65-Q67 PolarHBondContact O-N 3.25Å; P65-Q67 VanDerWaalsContact O-N 3.15Å; P65-Q68 HydrophobicContact CB-CB 4.09Å; P65-Q68 HydrophobicContact CG-CB 4.33Å; P65-Q68 PolarHBondContact O-N 3.03Å; P65-Q68 VanDerWaalsContact O-N 3.08Å |
| 66 | H | 86.5 | Confident | 92.8 | Very high | 192 Ų | 192 | 57.4 Ų | 57.4 | 89% | 0.889 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.4 | -171.8 | -172.7 | -72.3 | 0 | 0 | 0 | 114.2 | ||
| 67 | Q | 88.5 | Confident | 93 | Very high | 142 Ų | 142 | 56.4 Ų | 56.4 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.3 | -178.5 | -63.4 | -175.5 | 38.7 | 0 | 0 | 113.6 | P65 | P65-Q67 VanDerWaalsContact C-N 3.26Å; P65-Q67 PolarHBondContact O-N 3.25Å; P65-Q67 VanDerWaalsContact O-N 3.15Å |
| 68 | Q | 93.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | trans | -87.5 | 138 | -178.7 | 179.6 | 177.3 | 97.6 | 0 | 0 | 111 | W46 S49 D50 I52 R64 P65 | W46-Q68 PolarHBondContact O-NE2 2.83Å; S49-Q68 PolarHBondContact O-NE2 3.27Å; S49-Q68 PolarHBondContact OG-NE2 2.87Å; D50-Q68 WeakPolarHBondContact O-CA 3.46Å; I52-Q68 VanDerWaalsContact CD1-CD 3.46Å; I52-Q68 HydrophobicContact CD1-CG 4.35Å; I52-Q68 HydrophobicContact CG1-CG 4.22Å; R64-Q68 WeakPolarHBondContact CD-O 3.43Å; R64-Q68 HydrophobicContact CG-CB 4.13Å; R64-Q68 HydrophobicContact CG-CG 4.35Å; P65-Q68 HydrophobicContact CB-CB 4.09Å; P65-Q68 HydrophobicContact CG-CB 4.33Å; P65-Q68 PolarHBondContact O-N 3.03Å; P65-Q68 VanDerWaalsContact O-N 3.08Å | ||
| 69 | A | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D50 L51 I52 N92 F93 L294 | D50-A69 PolarHBondContact O-N 3.08Å; L51-A69 CarbonylContact C-O 3.52Å; L51-A69 WeakPolarHBondContact CA-O 3.28Å; L51-A69 HydrophobicContact CD1-CB 3.84Å; I52-A69 PolarHBondContact N-O 3.33Å; A69-N92 VanDerWaalsContact CA-OD1 3.28Å; A69-N92 WeakPolarHBondContact CA-OD1 3.42Å; A69-N92 HydrophobicContact CB-CB 4.14Å; A69-F93 HydrophobicContact CB-CD2 4.07Å; A69-F93 HydrophobicContact CB-CE2 3.71Å; A69-L294 HydrophobicContact CB-CD1 4.15Å; A69-L294 HydrophobicContact CB-CD2 3.56Å |
| 70 | W | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.4 | 179 | -66.2 | 8.7 | 0 | 0 | 0 | 110.4 | I52 I54 F59 P60 R64 K90 I91 N92 F93 | I52-W70 HydrophobicContact CB-CG 4.37Å; I52-W70 CarbonylContact O-C 3.6Å; I52-W70 WeakPolarHBondContact O-CA 3.39Å; I54-W70 HydrophobicContact CD1-CB 3.9Å; I54-W70 HydrophobicContact CD1-CD2 3.7Å; I54-W70 HydrophobicContact CD1-CE3 3.27Å; I54-W70 HydrophobicContact CD1-CG 4Å; I54-W70 HydrophobicContact CD1-CZ3 3.97Å; F59-W70 HydrophobicContact CB-CH2 4.2Å; F59-W70 HydrophobicContact CB-CZ3 3.81Å; F59-W70 AromaticContact CD2-CH2 3.84Å; F59-W70 HydrophobicContact CD2-CH2 3.84Å; F59-W70 AromaticContact CD2-CZ3 3.75Å; F59-W70 HydrophobicContact CD2-CZ3 3.75Å; F59-W70 HydrophobicContact CG-CH2 4.43Å; F59-W70 HydrophobicContact CG-CZ3 4.04Å; P60-W70 HydrophobicContact CB-CH2 4.22Å; P60-W70 HydrophobicContact CB-CZ2 3.91Å; P60-W70 HydrophobicContact CG-CH2 4.21Å; P60-W70 HydrophobicContact CG-CZ2 3.73Å; R64-W70 HydrophobicContact CB-CZ2 4.48Å; W70-K90 HydrophobicContact CE3-CB 3.77Å; W70-K90 HydrophobicContact CH2-CD 4.37Å; W70-K90 HydrophobicContact CZ3-CB 3.84Å; W70-K90 HydrophobicContact CZ3-CD 3.73Å; W70-K90 HydrophobicContact CZ3-CG 4.3Å; W70-I91 HydrophobicContact CB-CD1 4.5Å; W70-N92 PolarHBondContact N-OD1 2.89Å; W70-N92 WeakPolarHBondContact O-CB 3.5Å; W70-N92 PolarHBondContact O-N 2.94Å; W70-F93 PolarHBondContact O-N 3.43Å; W70-F93 VanDerWaalsContact O-N 3.16Å |
| 71 | V | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.9 | 179.8 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | L51 I52 L53 I54 F73 F93 A95 F287 L290 | L51-V71 HydrophobicContact CD1-CG2 3.55Å; L51-V71 HydrophobicContact CD2-CG2 3.96Å; L51-V71 HydrophobicContact CG-CG2 3.78Å; I52-V71 PolarHBondContact O-N 2.9Å; L53-V71 HydrophobicContact CD2-CB 3.77Å; L53-V71 HydrophobicContact CD2-CG1 4.33Å; L53-V71 HydrophobicContact CD2-CG2 3.92Å; I54-V71 PolarHBondContact N-O 3.44Å; V71-F73 PolarHBondContact O-N 3.16Å; V71-F93 CarbonylContact C-O 3.57Å; V71-F93 VanDerWaalsContact CA-O 3.26Å; V71-F93 WeakPolarHBondContact CA-O 3.35Å; V71-F93 HydrophobicContact CG1-CB 4.27Å; V71-F93 HydrophobicContact CG2-CB 4.18Å; V71-F93 HydrophobicContact CG2-CD2 4.43Å; V71-A95 HydrophobicContact CG1-CB 3.79Å; V71-F287 HydrophobicContact CG1-CE1 4.11Å; V71-L290 HydrophobicContact CG2-CD2 3.93Å |
| 72 | A | 95.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 117.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | I54 F83 I91 F93 A95 F305 | I54-A72 WeakPolarHBondContact O-CA 3.25Å; A72-F83 HydrophobicContact CB-CE1 4.3Å; A72-F83 HydrophobicContact CB-CZ 4.14Å; A72-I91 HydrophobicContact CB-CD1 3.94Å; A72-I91 HydrophobicContact CB-CG1 4.1Å; A72-I91 HydrophobicContact CB-CG2 3.88Å; A72-F93 PolarHBondContact N-O 2.83Å; A72-A95 PolarHBondContact O-N 2.89Å; A72-F305 HydrophobicContact CB-CD2 4.22Å; A72-F305 HydrophobicContact CB-CE1 4.13Å; A72-F305 HydrophobicContact CB-CE2 3.35Å; A72-F305 HydrophobicContact CB-CZ 3.3Å |
| 73 | F | 95.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 111.9 | -172.8 | 175.9 | -146.2 | 0 | 0 | 0 | 112.6 | M21 M25 L53 I54 P55 V71 Y75 A95 T105 P283 F287 | M21-F73 HydrophobicContact CE-CD1 3.65Å; M21-F73 HydrophobicContact CE-CE1 3.07Å; M21-F73 HydrophobicContact CE-CZ 3.68Å; M21-F73 HydrophobicContact SD-CD1 4.42Å; M21-F73 HydrophobicContact SD-CE1 4.08Å; M25-F73 HydrophobicContact CB-CE1 4.42Å; M25-F73 HydrophobicContact CG-CE1 4.28Å; M25-F73 HydrophobicContact CG-CZ 4.49Å; M25-F73 HydrophobicContact SD-CD1 4.45Å; M25-F73 HydrophobicContact SD-CE1 3.51Å; M25-F73 VanDerWaalsContact SD-CE1 3.51Å; M25-F73 HydrophobicContact SD-CZ 4.09Å; L53-F73 HydrophobicContact CD1-CD1 4.25Å; I54-F73 PolarHBondContact O-N 2.81Å; P55-F73 WeakPolarHBondContact CA-O 3.32Å; P55-F73 WeakPolarHBondContact CB-O 3.44Å; V71-F73 PolarHBondContact O-N 3.16Å; F73-Y75 HydrophobicContact CE2-CD2 4.23Å; F73-Y75 AromaticContact CE2-CE2 3.73Å; F73-Y75 HydrophobicContact CE2-CE2 3.73Å; F73-Y75 HydrophobicContact CZ-CD2 4.38Å; F73-Y75 AromaticContact CZ-CE2 3.67Å; F73-Y75 HydrophobicContact CZ-CE2 3.67Å; F73-A95 WeakPolarHBondContact CA-O 3.21Å; F73-A95 HydrophobicContact CB-CB 4.12Å; F73-A95 HydrophobicContact CD2-CB 3.66Å; F73-A95 WeakPolarHBondContact CD2-O 3.45Å; F73-A95 HydrophobicContact CE2-CB 4.49Å; F73-A95 HydrophobicContact CG-CB 4.17Å; F73-T105 HydrophobicContact CE2-CG2 3.96Å; F73-P283 HydrophobicContact CZ-CB 4.03Å; F73-P283 HydrophobicContact CZ-CG 4.15Å; F73-F287 HydrophobicContact CB-CZ 4.38Å; F73-F287 AromaticContact CD1-CE2 3.85Å; F73-F287 HydrophobicContact CD1-CE2 3.85Å; F73-F287 AromaticContact CD1-CZ 3.81Å; F73-F287 HydrophobicContact CD1-CZ 3.81Å; F73-F287 AromaticContact CD2-CZ 3.89Å; F73-F287 HydrophobicContact CD2-CZ 3.89Å; F73-F287 AromaticContact CE1-CE2 3.66Å; F73-F287 HydrophobicContact CE1-CE2 3.66Å; F73-F287 AromaticContact CE1-CZ 3.95Å; F73-F287 HydrophobicContact CE1-CZ 3.95Å; F73-F287 HydrophobicContact CE2-CE2 4.44Å; F73-F287 HydrophobicContact CE2-CZ 4.08Å; F73-F287 HydrophobicContact CG-CE2 4.28Å; F73-F287 AromaticContact CG-CZ 3.76Å; F73-F287 HydrophobicContact CG-CZ 3.76Å; F73-F287 HydrophobicContact CZ-CE2 4.01Å; F73-F287 HydrophobicContact CZ-CZ 4.1Å |
| 74 | E | 92.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | trans | -156.7 | 141.9 | -174.6 | -179.1 | 55.4 | -83.4 | 0 | 0 | 112.7 | E76 T81 F83 A95 S96 W309 | E74-E76 HydrophobicContact CG-CB 4.38Å; E74-E76 PolarHBondContact OE1-N 3.13Å; E74-T81 HydrophobicContact CB-CG2 4.47Å; E74-T81 HydrophobicContact CG-CG2 3.28Å; E74-F83 HydrophobicContact CB-CE2 3.79Å; E74-F83 HydrophobicContact CB-CZ 3.66Å; E74-F83 HydrophobicContact CG-CE2 4.15Å; E74-F83 HydrophobicContact CG-CZ 4.34Å; E74-A95 PolarHBondContact N-O 3.25Å; E74-S96 WeakPolarHBondContact O-CA 3.38Å; E74-S96 WeakPolarHBondContact O-CB 3.39Å; E74-W309 HydrophobicContact CG-CZ2 4.34Å | ||
| 75 | Y | 92.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -97.1 | -25.5 | 177 | -80.2 | -80 | 0 | 0 | 0 | 112.2 | A23 F73 Y97 T105 Y107 P283 | A23-Y75 HydrophobicContact CB-CD2 3.82Å; A23-Y75 HydrophobicContact CB-CE2 4.35Å; A23-Y75 HydrophobicContact CB-CG 4.44Å; F73-Y75 HydrophobicContact CE2-CD2 4.23Å; F73-Y75 AromaticContact CE2-CE2 3.73Å; F73-Y75 HydrophobicContact CE2-CE2 3.73Å; F73-Y75 HydrophobicContact CZ-CD2 4.38Å; F73-Y75 AromaticContact CZ-CE2 3.67Å; F73-Y75 HydrophobicContact CZ-CE2 3.67Å; Y75-Y97 WeakPolarHBondContact O-CD1 3.01Å; Y75-T105 WeakPolarHBondContact CE1-O 3.4Å; Y75-Y107 HydrophobicContact CD1-CE2 4.24Å; Y75-Y107 WeakPolarHBondContact O-CE2 3.47Å; Y75-Y107 PolarHBondContact O-OH 3.2Å; Y75-P283 VanDerWaalsContact OH-CG 3.32Å; Y75-P283 WeakPolarHBondContact OH-CG 3.37Å |
| 76 | E | 94.4 | Very high | 92.9 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -78.4 | 153.7 | -180 | -77.5 | -62.8 | 170.5 | 0 | 0 | 113.5 | L22 E74 H80 T81 Y203 W309 | L22-E76 HydrophobicContact CD1-CB 4.22Å; L22-E76 HydrophobicContact CD1-CG 3.71Å; E74-E76 HydrophobicContact CG-CB 4.38Å; E74-E76 PolarHBondContact OE1-N 3.13Å; E76-H80 HydrophobicContact CB-CB 4.26Å; E76-T81 HydrophobicContact CB-CG2 4.22Å; E76-T81 WeakPolarHBondContact O-CG2 3.45Å; E76-Y203 PolarHBondContact OE2-OH 3.34Å; E76-W309 VanDerWaalsContact O-CZ2 3.24Å; E76-W309 WeakPolarHBondContact O-CZ2 3.43Å |
| 77 | S | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -65 | 152.9 | 177.3 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | L79 H80 T81 Y97 S198 Y203 | S77-L79 PolarHBondContact O-N 3.39Å; S77-H80 WeakPolarHBondContact O-CA 3.49Å; S77-H80 PolarHBondContact O-N 3.26Å; S77-T81 WeakPolarHBondContact O-CG2 3.45Å; S77-T81 PolarHBondContact O-N 3.19Å; S77-Y97 WeakPolarHBondContact CA-OH 3.43Å; S77-S198 VanDerWaalsContact OG-CB 3.32Å; S77-S198 WeakPolarHBondContact OG-CB 3.39Å; S77-S198 PolarHBondContact OG-OG 3.03Å; S77-Y203 VanDerWaalsContact N-CE2 3.34Å | ||
| 78 | A | 94.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -51.9 | -30.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H80 T81 W309 | A78-H80 VanDerWaalsContact C-N 3.27Å; A78-H80 PolarHBondContact O-N 3.25Å; A78-T81 PolarHBondContact O-N 3.17Å; A78-T81 PolarHBondContact O-OG1 3.34Å; A78-W309 VanDerWaalsContact CA-NE1 3.32Å; A78-W309 HydrophobicContact CB-CD2 3.94Å; A78-W309 HydrophobicContact CB-CG 3.87Å; A78-W309 HydrophobicContact CB-CZ2 4.32Å; A78-W309 WeakPolarHBondContact CB-O 3.47Å |
| 79 | L | 94.2 | Very high | 93.1 | Very high | 82 Ų | 82 | 40 Ų | 40 | 43% | 0.429 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -75.2 | -11.3 | 177.7 | -54.6 | -178.4 | 0 | 0 | 0 | 114.6 | S77 K149 C313 | S77-L79 PolarHBondContact O-N 3.39Å; L79-K149 HydrophobicContact CB-CB 3.97Å; L79-K149 HydrophobicContact CB-CG 4Å; L79-K149 HydrophobicContact CD1-CB 3.66Å; L79-K149 HydrophobicContact CD1-CG 4.49Å; L79-K149 HydrophobicContact CG-CB 4.46Å; L79-C313 HydrophobicContact CD1-CB 4.14Å; L79-C313 HydrophobicContact CD2-CB 4.22Å; L79-C313 HydrophobicContact CG-CB 4Å |
| 80 | H | 92.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.25 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -115.9 | 3 | 177.9 | -74.3 | -68.5 | 0 | 0 | 0 | 113.2 | E76 S77 A78 S198 | E76-H80 HydrophobicContact CB-CB 4.26Å; S77-H80 WeakPolarHBondContact O-CA 3.49Å; S77-H80 PolarHBondContact O-N 3.26Å; A78-H80 VanDerWaalsContact C-N 3.27Å; A78-H80 PolarHBondContact O-N 3.25Å; H80-S198 PolarHBondContact CD2-OG 2.89Å |
| 81 | T | 89.9 | Confident | 92.9 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | trans | -91.7 | 164.6 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | E74 E76 S77 A78 F83 W309 | E74-T81 HydrophobicContact CB-CG2 4.47Å; E74-T81 HydrophobicContact CG-CG2 3.28Å; E76-T81 HydrophobicContact CB-CG2 4.22Å; E76-T81 WeakPolarHBondContact O-CG2 3.45Å; S77-T81 WeakPolarHBondContact O-CG2 3.45Å; S77-T81 PolarHBondContact O-N 3.19Å; A78-T81 PolarHBondContact O-N 3.17Å; A78-T81 PolarHBondContact O-OG1 3.34Å; T81-F83 HydrophobicContact CG2-CE2 4.4Å; T81-W309 HydrophobicContact CG2-CZ2 3.7Å; T81-W309 PolarHBondContact OG1-NE1 3.33Å | ||
| 82 | R | 88.9 | Confident | 92.8 | Very high | 185 Ų | 185 | 42.8 Ų | 42.8 | 70% | 0.698 | 21% | 0.207 | S | C | * | . | trans | -120.9 | 34.4 | 178.2 | -62.4 | -175.3 | 177.3 | -179.7 | -1.4 | 112.5 | N56 R57 | N56-R82 CarbonylContact C-O 3.56Å; R57-R82 WeakPolarHBondContact CA-O 3.45Å; R57-R82 WeakPolarHBondContact CB-O 3.49Å; R57-R82 PolarHBondContact N-O 3.31Å | ||
| 83 | F | 93.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 43 Ų | 43 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | trans | -65.1 | 145 | 172.9 | -68.4 | -56.2 | 0 | 0 | 0 | 111.5 | I54 A72 E74 T81 L87 F305 M306 W309 | I54-F83 HydrophobicContact CG2-CE1 4.39Å; I54-F83 VanDerWaalsContact O-CE1 3.31Å; I54-F83 WeakPolarHBondContact O-CE1 3.39Å; A72-F83 HydrophobicContact CB-CE1 4.3Å; A72-F83 HydrophobicContact CB-CZ 4.14Å; E74-F83 HydrophobicContact CB-CE2 3.79Å; E74-F83 HydrophobicContact CB-CZ 3.66Å; E74-F83 HydrophobicContact CG-CE2 4.15Å; E74-F83 HydrophobicContact CG-CZ 4.34Å; T81-F83 HydrophobicContact CG2-CE2 4.4Å; F83-L87 HydrophobicContact CB-CD1 4.08Å; F83-L87 HydrophobicContact CD1-CD1 3.63Å; F83-L87 HydrophobicContact CG-CD1 4.27Å; F83-F305 HydrophobicContact CB-CE1 4.08Å; F83-F305 HydrophobicContact CD1-CE1 4.28Å; F83-F305 HydrophobicContact CD1-CZ 4.48Å; F83-F305 AromaticContact CD2-CE1 3.98Å; F83-F305 HydrophobicContact CD2-CE1 3.98Å; F83-F305 AromaticContact CD2-CZ 3.83Å; F83-F305 HydrophobicContact CD2-CZ 3.83Å; F83-F305 HydrophobicContact CE2-CE1 4.49Å; F83-F305 AromaticContact CE2-CZ 3.92Å; F83-F305 HydrophobicContact CE2-CZ 3.92Å; F83-F305 AromaticContact CG-CE1 3.86Å; F83-F305 HydrophobicContact CG-CE1 3.86Å; F83-F305 HydrophobicContact CG-CZ 4.12Å; F83-F305 HydrophobicContact CZ-CZ 4.3Å; F83-M306 HydrophobicContact CB-CE 3.9Å; F83-M306 HydrophobicContact CB-SD 3.42Å; F83-M306 WeakPolarHBondContact CB-SD 3.44Å; F83-M306 HydrophobicContact CG-SD 4.42Å; F83-W309 AromaticContact CD2-CD1 3.7Å; F83-W309 HydrophobicContact CD2-CG 4.5Å; F83-W309 AromaticContact CD2-NE1 3.46Å; F83-W309 HydrophobicContact CE2-CZ2 4.4Å; F83-W309 AromaticContact CE2-NE1 3.74Å | ||
| 84 | S | 91.7 | Very high | 92.7 | Very high | 28 Ų | 28 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | trans | -90.4 | 144.3 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | E86 L87 | S84-E86 PolarHBondContact O-N 3.09Å; S84-E86 WeakPolarHBondContact OG-CB 3.27Å; S84-E86 PolarHBondContact OG-N 3.13Å; S84-L87 VanDerWaalsContact O-CB 3.29Å; S84-L87 WeakPolarHBondContact O-CB 3.14Å; S84-L87 PolarHBondContact O-N 2.72Å | ||
| 85 | D | 92.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 42.5 Ų | 42.5 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -62.3 | -19.4 | 169.5 | -64.4 | -36.8 | 0 | 0 | 0 | 112 | L87 N88 M306 K310 | D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 VanDerWaalsContact O-N 3.17Å; D85-N88 WeakPolarHBondContact O-CB 3.34Å; D85-N88 VanDerWaalsContact O-CG 3.32Å; D85-N88 PolarHBondContact O-N 3.2Å; D85-N88 VanDerWaalsContact O-N 3.16Å; D85-N88 PolarHBondContact O-ND2 3.5Å; D85-M306 WeakPolarHBondContact OD1-CB 3.35Å; D85-M306 WeakPolarHBondContact OD1-CG 3.39Å; D85-K310 IonicContact OD1-NZ 3.2Å; D85-K310 PolarHBondContact OD1-NZ 2.93Å; D85-K310 IonicContact OD2-NZ 3.44Å; D85-K310 PolarHBondContact OD2-NZ 3.02Å |
| 86 | E | 93 | Very high | 93 | Very high | 125 Ų | 125 | 41.8 Ų | 41.8 | 58% | 0.584 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -66.1 | -10.5 | 170 | -63.6 | 177.7 | -149 | 0 | 0 | 113.9 | F59 S84 N88 K90 | F59-E86 HydrophobicContact CE1-CB 4.01Å; F59-E86 HydrophobicContact CZ-CB 3.81Å; F59-E86 WeakPolarHBondContact CZ-OE2 3.43Å; S84-E86 PolarHBondContact O-N 3.09Å; S84-E86 WeakPolarHBondContact OG-CB 3.27Å; S84-E86 PolarHBondContact OG-N 3.13Å; E86-N88 VanDerWaalsContact C-N 3.33Å; E86-K90 WeakPolarHBondContact O-CD 3.24Å; E86-K90 WeakPolarHBondContact O-CE 3.39Å; E86-K90 PolarHBondContact O-NZ 3.09Å |
| 87 | L | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -82.2 | -11.7 | 174.3 | -69.4 | 170.8 | 0 | 0 | 0 | 113.1 | I54 F59 F83 S84 D85 K90 I91 F305 | I54-L87 HydrophobicContact CD1-CD2 3.96Å; I54-L87 HydrophobicContact CG2-CD1 3.94Å; I54-L87 HydrophobicContact CG2-CD2 4.11Å; F59-L87 HydrophobicContact CB-CD2 3.88Å; F59-L87 HydrophobicContact CD1-CD2 3.43Å; F59-L87 VanDerWaalsContact CD1-CD2 3.43Å; F59-L87 HydrophobicContact CD1-CG 3.99Å; F59-L87 HydrophobicContact CE1-CD2 4.13Å; F59-L87 HydrophobicContact CE1-CG 4.36Å; F59-L87 HydrophobicContact CG-CD2 3.69Å; F83-L87 HydrophobicContact CB-CD1 4.08Å; F83-L87 HydrophobicContact CD1-CD1 3.63Å; F83-L87 HydrophobicContact CG-CD1 4.27Å; S84-L87 VanDerWaalsContact O-CB 3.29Å; S84-L87 WeakPolarHBondContact O-CB 3.14Å; S84-L87 PolarHBondContact O-N 2.72Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 VanDerWaalsContact O-N 3.17Å; L87-K90 WeakPolarHBondContact O-CB 3.05Å; L87-K90 PolarHBondContact O-N 2.95Å; L87-I91 HydrophobicContact CB-CD1 4.38Å; L87-I91 HydrophobicContact CB-CG1 4.17Å; L87-I91 HydrophobicContact CD2-CD1 4.15Å; L87-I91 PolarHBondContact O-N 3.25Å; L87-F305 HydrophobicContact CB-CD1 4.25Å |
| 88 | N | 92.1 | Very high | 93 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 142.9 | 169.6 | -69.6 | -25.5 | 0 | 0 | 0 | 109.8 | D85 E86 K90 F305 M306 | D85-N88 WeakPolarHBondContact O-CB 3.34Å; D85-N88 VanDerWaalsContact O-CG 3.32Å; D85-N88 PolarHBondContact O-N 3.2Å; D85-N88 VanDerWaalsContact O-N 3.16Å; D85-N88 PolarHBondContact O-ND2 3.5Å; E86-N88 VanDerWaalsContact C-N 3.33Å; N88-K90 PolarHBondContact O-N 3.1Å; N88-F305 PolarHBondContact OD1-N 3.2Å; N88-M306 VanDerWaalsContact OD1-CB 3.27Å; N88-M306 WeakPolarHBondContact OD1-CB 3.29Å; N88-M306 WeakPolarHBondContact OD1-CG 3.4Å; N88-M306 PolarHBondContact OD1-N 3.09Å |
| 89 | D | 88.7 | Confident | 93 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -2.1 | -174.5 | -48.2 | -61.4 | 0 | 0 | 0 | 116.4 | I301 E303 | D89-I301 HydrophobicContact CB-CG2 4.25Å; D89-I301 WeakPolarHBondContact O-CG2 3.04Å; D89-E303 PolarHBondContact N-O 3.37Å; D89-E303 WeakPolarHBondContact OD1-CA 3.02Å; D89-E303 WeakPolarHBondContact OD1-CB 3.17Å; D89-E303 VanDerWaalsContact OD1-O 3.12Å |
| 90 | K | 91.8 | Very high | 93 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -28.1 | 178.2 | -60.7 | -177 | -172 | 152.6 | 0 | 112.6 | F59 R64 W70 E86 L87 N88 | F59-K90 HydrophobicContact CD2-CD 4.43Å; F59-K90 HydrophobicContact CE2-CD 4.27Å; R64-K90 PolarHBondContact NH1-O 2.03Å; W70-K90 HydrophobicContact CE3-CB 3.77Å; W70-K90 HydrophobicContact CH2-CD 4.37Å; W70-K90 HydrophobicContact CZ3-CB 3.84Å; W70-K90 HydrophobicContact CZ3-CD 3.73Å; W70-K90 HydrophobicContact CZ3-CG 4.3Å; E86-K90 WeakPolarHBondContact O-CD 3.24Å; E86-K90 WeakPolarHBondContact O-CE 3.39Å; E86-K90 PolarHBondContact O-NZ 3.09Å; L87-K90 WeakPolarHBondContact O-CB 3.05Å; L87-K90 PolarHBondContact O-N 2.95Å; N88-K90 PolarHBondContact O-N 3.1Å |
| 91 | I | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -77.3 | 128.3 | -179.2 | -60 | -54.2 | 0 | 0 | 0 | 111 | I54 W70 A72 L87 F93 T94 H302 F305 | I54-I91 HydrophobicContact CD1-CD1 3.98Å; W70-I91 HydrophobicContact CB-CD1 4.5Å; A72-I91 HydrophobicContact CB-CD1 3.94Å; A72-I91 HydrophobicContact CB-CG1 4.1Å; A72-I91 HydrophobicContact CB-CG2 3.88Å; L87-I91 HydrophobicContact CB-CD1 4.38Å; L87-I91 HydrophobicContact CB-CG1 4.17Å; L87-I91 HydrophobicContact CD2-CD1 4.15Å; L87-I91 PolarHBondContact O-N 3.25Å; I91-F93 WeakPolarHBondContact CG2-O 3.43Å; I91-T94 HydrophobicContact CG2-CG2 4.2Å; I91-H302 PolarHBondContact O-N 2.73Å; I91-F305 HydrophobicContact CB-CB 4.2Å; I91-F305 HydrophobicContact CB-CD2 4.22Å; I91-F305 HydrophobicContact CB-CG 4.09Å; I91-F305 HydrophobicContact CG1-CB 4.22Å; I91-F305 HydrophobicContact CG1-CD1 3.86Å; I91-F305 HydrophobicContact CG1-CD2 4.15Å; I91-F305 HydrophobicContact CG1-CE1 4.3Å; I91-F305 HydrophobicContact CG1-CG 3.78Å; I91-F305 HydrophobicContact CG2-CD2 4.03Å; I91-F305 HydrophobicContact CG2-CE2 4.47Å; I91-F305 HydrophobicContact CG2-CG 4.41Å | ||
| 92 | N | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | trans | -95.8 | -37.3 | 176.2 | -63.3 | 115.1 | 0 | 0 | 0 | 112.5 | R64 A69 W70 P299 | R64-N92 PolarHBondContact NH1-ND2 3.09Å; R64-N92 PolarHBondContact NH1-OD1 3.15Å; A69-N92 VanDerWaalsContact CA-OD1 3.28Å; A69-N92 WeakPolarHBondContact CA-OD1 3.42Å; A69-N92 HydrophobicContact CB-CB 4.14Å; W70-N92 PolarHBondContact N-OD1 2.89Å; W70-N92 WeakPolarHBondContact O-CB 3.5Å; W70-N92 PolarHBondContact O-N 2.94Å; N92-P299 HydrophobicContact CB-CB 3.81Å; N92-P299 WeakPolarHBondContact ND2-CB 3.33Å | ||
| 93 | F | 94.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.9 | -176.3 | -55.1 | -67.7 | 0 | 0 | 0 | 110.1 | A69 W70 V71 A72 I91 T102 L290 L294 | A69-F93 HydrophobicContact CB-CD2 4.07Å; A69-F93 HydrophobicContact CB-CE2 3.71Å; W70-F93 PolarHBondContact O-N 3.43Å; W70-F93 VanDerWaalsContact O-N 3.16Å; V71-F93 CarbonylContact C-O 3.57Å; V71-F93 VanDerWaalsContact CA-O 3.26Å; V71-F93 WeakPolarHBondContact CA-O 3.35Å; V71-F93 HydrophobicContact CG1-CB 4.27Å; V71-F93 HydrophobicContact CG2-CB 4.18Å; V71-F93 HydrophobicContact CG2-CD2 4.43Å; A72-F93 PolarHBondContact N-O 2.83Å; I91-F93 WeakPolarHBondContact CG2-O 3.43Å; F93-T102 WeakPolarHBondContact CA-OG1 3.29Å; F93-T102 HydrophobicContact CB-CG2 4.03Å; F93-T102 HydrophobicContact CD1-CG2 3.53Å; F93-T102 HydrophobicContact CE1-CG2 4.36Å; F93-T102 HydrophobicContact CG-CG2 4.12Å; F93-L290 HydrophobicContact CB-CD2 4.2Å; F93-L290 HydrophobicContact CD1-CD1 4.38Å; F93-L290 HydrophobicContact CD2-CD1 4.08Å; F93-L290 HydrophobicContact CD2-CD2 3.82Å; F93-L290 HydrophobicContact CD2-CG 4.33Å; F93-L290 HydrophobicContact CE1-CD1 4.23Å; F93-L290 HydrophobicContact CE2-CD1 3.93Å; F93-L290 HydrophobicContact CE2-CD2 4.41Å; F93-L290 HydrophobicContact CE2-CG 4.44Å; F93-L290 HydrophobicContact CG-CD1 4.29Å; F93-L290 HydrophobicContact CG-CD2 4.04Å; F93-L290 HydrophobicContact CZ-CD1 4Å; F93-L294 HydrophobicContact CE2-CD2 3.56Å; F93-L294 HydrophobicContact CZ-CD2 4.15Å |
| 94 | T | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.9 | 179.7 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | I91 S101 T102 I103 F305 W308 | I91-T94 HydrophobicContact CG2-CG2 4.2Å; T94-S101 VanDerWaalsContact OG1-CA 3.29Å; T94-S101 WeakPolarHBondContact OG1-CA 3.31Å; T94-T102 PolarHBondContact N-OG1 3.32Å; T94-T102 WeakPolarHBondContact O-CA 3.4Å; T94-T102 VanDerWaalsContact O-CB 3.32Å; T94-T102 WeakPolarHBondContact O-CB 3.2Å; T94-T102 PolarHBondContact O-N 2.9Å; T94-T102 PolarHBondContact OG1-N 3.36Å; T94-I103 PolarHBondContact O-N 3.07Å; T94-F305 HydrophobicContact CG2-CD2 3.94Å; T94-F305 HydrophobicContact CG2-CE2 3.89Å; T94-W308 HydrophobicContact CG2-CE3 4.14Å; T94-W308 HydrophobicContact CG2-CH2 3.82Å; T94-W308 HydrophobicContact CG2-CZ3 3.6Å |
| 95 | A | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 103.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V71 A72 F73 E74 I103 T105 F287 | V71-A95 HydrophobicContact CG1-CB 3.79Å; A72-A95 PolarHBondContact O-N 2.89Å; F73-A95 WeakPolarHBondContact CA-O 3.21Å; F73-A95 HydrophobicContact CB-CB 4.12Å; F73-A95 HydrophobicContact CD2-CB 3.66Å; F73-A95 WeakPolarHBondContact CD2-O 3.45Å; F73-A95 HydrophobicContact CE2-CB 4.49Å; F73-A95 HydrophobicContact CG-CB 4.17Å; E74-A95 PolarHBondContact N-O 3.25Å; A95-I103 WeakPolarHBondContact CA-O 3.31Å; A95-I103 HydrophobicContact CB-CB 4.16Å; A95-T105 HydrophobicContact CB-CG2 4.48Å; A95-F287 HydrophobicContact CB-CE1 3.68Å; A95-F287 HydrophobicContact CB-CZ 3.78Å |
| 96 | S | 94.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 178.3 | -179.4 | 82.8 | 0 | 0 | 0 | 0 | 111.7 | E74 R98 S101 I103 R104 T105 | E74-S96 WeakPolarHBondContact O-CA 3.38Å; E74-S96 WeakPolarHBondContact O-CB 3.39Å; S96-R98 PolarHBondContact O-N 3.29Å; S96-R98 PolarHBondContact OG-N 2.97Å; S96-S101 PolarHBondContact OG-OG 3.15Å; S96-I103 PolarHBondContact N-O 3.26Å; S96-R104 CarbonylContact O-C 3.57Å; S96-R104 WeakPolarHBondContact O-CA 3.33Å; S96-T105 WeakPolarHBondContact CA-OG1 3.41Å; S96-T105 PolarHBondContact N-OG1 3.19Å; S96-T105 VanDerWaalsContact N-OG1 3.17Å; S96-T105 PolarHBondContact O-N 2.74Å; S96-T105 PolarHBondContact O-OG1 3.41Å |
| 97 | Y | 95.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -63.1 | -22 | 175.4 | 58.3 | -97.9 | 0 | 0 | 0 | 114.1 | Y75 S77 R104 Q201 D202 Y203 W309 | Y75-Y97 WeakPolarHBondContact O-CD1 3.01Å; S77-Y97 WeakPolarHBondContact CA-OH 3.43Å; Y97-R104 PolarHBondContact O-NE 3.19Å; Y97-Q201 VanDerWaalsContact CE2-O 3.28Å; Y97-Q201 WeakPolarHBondContact CE2-O 3.24Å; Y97-D202 HydrophobicContact CD2-CB 4.24Å; Y97-D202 WeakPolarHBondContact CD2-O 3.46Å; Y97-Y203 AromaticContact CD1-CD2 3.76Å; Y97-Y203 HydrophobicContact CD1-CD2 3.76Å; Y97-Y203 HydrophobicContact CD1-CE2 4.39Å; Y97-Y203 HydrophobicContact CD2-CD2 4.33Å; Y97-Y203 AromaticContact CE1-CD2 3.44Å; Y97-Y203 HydrophobicContact CE1-CD2 3.44Å; Y97-Y203 VanDerWaalsContact CE1-CD2 3.44Å; Y97-Y203 HydrophobicContact CE1-CE2 4.12Å; Y97-Y203 HydrophobicContact CE1-CG 4.37Å; Y97-Y203 HydrophobicContact CE2-CD2 4.08Å; Y97-Y203 HydrophobicContact CE2-CG 4.32Å; Y97-Y203 HydrophobicContact CG-CD2 4.2Å; Y97-Y203 AromaticContact CZ-CD2 3.61Å; Y97-W309 HydrophobicContact CD1-CH2 4.49Å; Y97-W309 AromaticContact CE1-CH2 3.66Å; Y97-W309 HydrophobicContact CE1-CH2 3.66Å; Y97-W309 HydrophobicContact CE1-CZ2 4.47Å; Y97-W309 HydrophobicContact CE1-CZ3 4.39Å; Y97-W309 AromaticContact CZ-CH2 3.93Å |
| 98 | R | 95 | Very high | 94 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -65.6 | 140.9 | -174.7 | -64.7 | 175.3 | 56.6 | 142.5 | -1.2 | 112.2 | S96 D100 S101 W308 W309 | S96-R98 PolarHBondContact O-N 3.29Å; S96-R98 PolarHBondContact OG-N 2.97Å; R98-D100 VanDerWaalsContact CB-OD1 3.24Å; R98-D100 WeakPolarHBondContact CB-OD1 3.29Å; R98-D100 IonicContact CZ-OD1 2.68Å; R98-D100 IonicContact CZ-OD2 3.09Å; R98-D100 IonicContact NE-OD1 2.78Å; R98-D100 PolarHBondContact NE-OD1 2.9Å; R98-D100 IonicContact NE-OD2 3.35Å; R98-D100 IonicContact NH2-OD1 3.17Å; R98-D100 PolarHBondContact NH2-OD1 3.03Å; R98-D100 IonicContact NH2-OD2 3.49Å; R98-D100 PolarHBondContact NH2-OD2 3.42Å; R98-D100 PolarHBondContact O-N 2.91Å; R98-S101 WeakPolarHBondContact O-CB 3.31Å; R98-S101 PolarHBondContact O-N 3.27Å; R98-S101 PolarHBondContact O-OG 3.12Å; R98-W308 HydrophobicContact CB-CZ2 4.39Å; R98-W308 PolarHBondContact NH1-O 3.26Å; R98-W308 VanDerWaalsContact NH2-NE1 3.14Å; R98-W309 HydrophobicContact CG-CZ3 4.21Å |
| 99 | F | 94.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 27.1 Ų | 27.1 | 36% | 0.36 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.8 | -180 | -80.3 | -79.8 | 0 | 0 | 0 | 114.1 | D202 K231 V232 | F99-D202 HydrophobicContact CD2-CB 4.07Å; F99-D202 VanDerWaalsContact CD2-CG 3.48Å; F99-D202 WeakPolarHBondContact CD2-OD1 3.45Å; F99-D202 PolarHBondContact N-OD2 3.29Å; F99-K231 HydrophobicContact CD2-CD 4.18Å; F99-K231 HydrophobicContact CE2-CB 3.92Å; F99-K231 HydrophobicContact CE2-CD 3.78Å; F99-K231 HydrophobicContact CZ-CB 3.68Å; F99-K231 HydrophobicContact CZ-CD 4.17Å; F99-V232 HydrophobicContact CE2-CG1 3.92Å; F99-V232 HydrophobicContact CZ-CG1 3.45Å; F99-V232 VanDerWaalsContact CZ-CG1 3.45Å |
| 100 | D | 93.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 24.3 Ų | 24.3 | 39% | 0.39 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 13.7 | 179.4 | 66 | -16.1 | 0 | 0 | 0 | 113.4 | R98 W308 | R98-D100 VanDerWaalsContact CB-OD1 3.24Å; R98-D100 WeakPolarHBondContact CB-OD1 3.29Å; R98-D100 IonicContact CZ-OD1 2.68Å; R98-D100 IonicContact CZ-OD2 3.09Å; R98-D100 IonicContact NE-OD1 2.78Å; R98-D100 PolarHBondContact NE-OD1 2.9Å; R98-D100 IonicContact NE-OD2 3.35Å; R98-D100 IonicContact NH2-OD1 3.17Å; R98-D100 PolarHBondContact NH2-OD1 3.03Å; R98-D100 IonicContact NH2-OD2 3.49Å; R98-D100 PolarHBondContact NH2-OD2 3.42Å; R98-D100 PolarHBondContact O-N 2.91Å; D100-W308 VanDerWaalsContact CG-NE1 3.34Å; D100-W308 WeakPolarHBondContact OD1-CZ2 3.27Å; D100-W308 PolarHBondContact OD2-NE1 2.69Å |
| 101 | S | 94 | Very high | 94.7 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -75.6 | 150.6 | 169.4 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | T94 S96 R98 I103 | T94-S101 VanDerWaalsContact OG1-CA 3.29Å; T94-S101 WeakPolarHBondContact OG1-CA 3.31Å; S96-S101 PolarHBondContact OG-OG 3.15Å; R98-S101 WeakPolarHBondContact O-CB 3.31Å; R98-S101 PolarHBondContact O-N 3.27Å; R98-S101 PolarHBondContact O-OG 3.12Å; S101-I103 VanDerWaalsContact C-N 3.29Å; S101-I103 PolarHBondContact O-N 3.36Å |
| 102 | T | 92.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 41% | 0.411 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -55.8 | -46 | 172.8 | -47.2 | 0 | 0 | 0 | 0 | 111.5 | F93 T94 | F93-T102 WeakPolarHBondContact CA-OG1 3.29Å; F93-T102 HydrophobicContact CB-CG2 4.03Å; F93-T102 HydrophobicContact CD1-CG2 3.53Å; F93-T102 HydrophobicContact CE1-CG2 4.36Å; F93-T102 HydrophobicContact CG-CG2 4.12Å; T94-T102 PolarHBondContact N-OG1 3.32Å; T94-T102 WeakPolarHBondContact O-CA 3.4Å; T94-T102 VanDerWaalsContact O-CB 3.32Å; T94-T102 WeakPolarHBondContact O-CB 3.2Å; T94-T102 PolarHBondContact O-N 2.9Å; T94-T102 PolarHBondContact OG1-N 3.36Å |
| 103 | I | 94.2 | Very high | 94.6 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.072 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.5 | 174.6 | -62.2 | 173.9 | 0 | 0 | 0 | 107.5 | T94 A95 S96 S101 T105 F281 E286 F287 L290 | T94-I103 PolarHBondContact O-N 3.07Å; A95-I103 WeakPolarHBondContact CA-O 3.31Å; A95-I103 HydrophobicContact CB-CB 4.16Å; S96-I103 PolarHBondContact N-O 3.26Å; S101-I103 VanDerWaalsContact C-N 3.29Å; S101-I103 PolarHBondContact O-N 3.36Å; I103-T105 HydrophobicContact CG2-CG2 4.19Å; I103-T105 PolarHBondContact O-N 2.98Å; I103-F281 HydrophobicContact CG2-CE1 3.93Å; I103-F281 HydrophobicContact CG2-CZ 3.79Å; I103-E286 HydrophobicContact CD1-CB 4.14Å; I103-E286 HydrophobicContact CG2-CB 3.85Å; I103-E286 HydrophobicContact CG2-CG 4.31Å; I103-F287 HydrophobicContact CD1-CD1 3.62Å; I103-F287 HydrophobicContact CD1-CE1 3.76Å; I103-L290 HydrophobicContact CD1-CB 4.18Å; I103-L290 HydrophobicContact CD1-CD2 3.72Å |
| 104 | R | 94 | Very high | 94.1 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 119.9 | 178 | -167 | -175.1 | 170.4 | -116.3 | -1.9 | 110.3 | S96 Y97 P106 V232 F281 | S96-R104 CarbonylContact O-C 3.57Å; S96-R104 WeakPolarHBondContact O-CA 3.33Å; Y97-R104 PolarHBondContact O-NE 3.19Å; R104-P106 VanDerWaalsContact C-CD 3.5Å; R104-P106 VanDerWaalsContact O-CD 3.31Å; R104-P106 WeakPolarHBondContact O-CD 3.45Å; R104-V232 VanDerWaalsContact NH2-CG1 3.29Å; R104-F281 VanDerWaalsContact O-CE1 3.3Å; R104-F281 WeakPolarHBondContact O-CE1 3.46Å; R104-F281 VanDerWaalsContact O-CE2 3.31Å; R104-F281 WeakPolarHBondContact O-CE2 3.49Å; R104-F281 WeakPolarHBondContact O-CZ 3.47Å |
| 105 | T | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -117.6 | 70 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | F73 Y75 A95 S96 I103 F281 P283 | F73-T105 HydrophobicContact CE2-CG2 3.96Å; Y75-T105 WeakPolarHBondContact CE1-O 3.4Å; A95-T105 HydrophobicContact CB-CG2 4.48Å; S96-T105 WeakPolarHBondContact CA-OG1 3.41Å; S96-T105 PolarHBondContact N-OG1 3.19Å; S96-T105 VanDerWaalsContact N-OG1 3.17Å; S96-T105 PolarHBondContact O-N 2.74Å; S96-T105 PolarHBondContact O-OG1 3.41Å; I103-T105 HydrophobicContact CG2-CG2 4.19Å; I103-T105 PolarHBondContact O-N 2.98Å; T105-F281 HydrophobicContact CG2-CD1 3.79Å; T105-F281 HydrophobicContact CG2-CE1 3.47Å; T105-F281 VanDerWaalsContact CG2-CE1 3.47Å; T105-F281 HydrophobicContact CG2-CZ 4.47Å; T105-P283 HydrophobicContact CG2-CB 4.18Å; T105-P283 HydrophobicContact CG2-CG 4.05Å | ||
| 106 | P | 95.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | trans | -74.4 | 159.4 | -178.2 | 35.9 | -35.9 | 0 | 0 | 0 | 111.3 | R104 G108 M109 | R104-P106 VanDerWaalsContact C-CD 3.5Å; R104-P106 VanDerWaalsContact O-CD 3.31Å; R104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-G108 VanDerWaalsContact C-N 3.32Å; P106-M109 HydrophobicContact CG-CE 3.97Å | ||
| 107 | Y | 95.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 58.7 Ų | 58.7 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -67.5 | -35.2 | 171.5 | -76.3 | -101.1 | 0 | 0 | 0 | 112.1 | Y75 Y203 T205 E206 V278 W279 | Y75-Y107 HydrophobicContact CD1-CE2 4.24Å; Y75-Y107 WeakPolarHBondContact O-CE2 3.47Å; Y75-Y107 PolarHBondContact O-OH 3.2Å; Y107-Y203 HydrophobicContact CE2-CE2 4.21Å; Y107-T205 HydrophobicContact CD2-CG2 4.08Å; Y107-T205 HydrophobicContact CE2-CG2 3.89Å; Y107-T205 HydrophobicContact CG-CG2 4.49Å; Y107-E206 HydrophobicContact CD1-CB 4.49Å; Y107-E206 WeakPolarHBondContact CD1-OE2 3.47Å; Y107-E206 WeakPolarHBondContact CE1-OE2 3.41Å; Y107-V278 CarbonylContact O-C 3.31Å; Y107-V278 VanDerWaalsContact O-CA 3.27Å; Y107-V278 WeakPolarHBondContact O-CA 3.34Å; Y107-V278 VanDerWaalsContact O-CG1 3.28Å; Y107-V278 WeakPolarHBondContact O-CG1 3.37Å; Y107-W279 HydrophobicContact CD1-CZ2 4.35Å; Y107-W279 AromaticContact CD1-NE1 3.54Å; Y107-W279 PolarHBondContact O-N 2.94Å |
| 108 | G | 95.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 175.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | P106 F209 T277 | P106-G108 VanDerWaalsContact C-N 3.32Å; G108-F209 VanDerWaalsContact C-CZ 3.47Å; G108-F209 VanDerWaalsContact O-CZ 3.22Å; G108-F209 WeakPolarHBondContact O-CZ 3.28Å; G108-T277 CarbonylContact C-O 3.57Å; G108-T277 WeakPolarHBondContact CA-O 3.23Å |
| 109 | M | 94.6 | Very high | 86.5 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 26% | 0.261 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 156.6 | 175.6 | 67.7 | -176.4 | 82.3 | 0 | 0 | 111.4 | P106 V276 T277 | P106-M109 HydrophobicContact CG-CE 3.97Å; M109-V276 WeakPolarHBondContact O-CA 3.42Å; M109-T277 PolarHBondContact N-O 2.81Å; M109-T277 PolarHBondContact O-N 3.28Å |
| 110 | Y | 97 | Very high | 84.4 | Confident | 32 Ų | 32 | 71 Ų | 71 | 13% | 0.125 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.6 | 162.9 | 174.1 | -111.8 | 0 | 0 | 0 | 110.9 | P112 V232 P234 W270 K273 G274 V275 V276 | Y110-P112 HydrophobicContact CD1-CG 4.23Å; Y110-P112 HydrophobicContact CE1-CB 4.26Å; Y110-P112 HydrophobicContact CE1-CG 3.75Å; Y110-V232 WeakPolarHBondContact CB-O 3.38Å; Y110-V232 PolarHBondContact N-O 2.84Å; Y110-P234 HydrophobicContact CD1-CB 4.23Å; Y110-P234 HydrophobicContact CD2-CB 3.69Å; Y110-P234 HydrophobicContact CD2-CG 3.57Å; Y110-P234 HydrophobicContact CE1-CB 4.36Å; Y110-P234 HydrophobicContact CE2-CB 3.81Å; Y110-P234 HydrophobicContact CE2-CG 4.13Å; Y110-P234 HydrophobicContact CG-CB 3.89Å; Y110-P234 HydrophobicContact CG-CG 3.83Å; Y110-W270 HydrophobicContact CD2-CE3 4.28Å; Y110-W270 AromaticContact CE2-CE3 3.98Å; Y110-W270 HydrophobicContact CE2-CE3 3.98Å; Y110-K273 WeakPolarHBondContact OH-CB 3.5Å; Y110-K273 PolarHBondContact OH-O 3.13Å; Y110-G274 PolarHBondContact OH-N 2.9Å; Y110-V275 CarbonylContact C-O 3.45Å; Y110-V275 WeakPolarHBondContact CA-O 3.23Å; Y110-V275 WeakPolarHBondContact CD2-O 3.27Å; Y110-V276 HydrophobicContact CD2-CG2 4.21Å |
| 111 | T | 95.3 | Very high | 82.3 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.2 | 173.4 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | G274 V275 | T111-G274 CarbonylContact O-C 3.44Å; T111-G274 WeakPolarHBondContact O-CA 3.32Å; T111-V275 PolarHBondContact N-O 2.86Å; T111-V275 PolarHBondContact O-N 3.44Å |
| 112 | P | 94.8 | Very high | 80.2 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 143 | 172.6 | -19.6 | 30.1 | 0 | 0 | 0 | 111.1 | Y110 K273 | Y110-P112 HydrophobicContact CD1-CG 4.23Å; Y110-P112 HydrophobicContact CE1-CB 4.26Å; Y110-P112 HydrophobicContact CE1-CG 3.75Å; P112-K273 CarbonylContact C-O 3.55Å; P112-K273 WeakPolarHBondContact CA-O 3.32Å |
| 113 | D | 90.6 | Very high | 77.9 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 146.2 | 169.6 | -70.4 | -25.3 | 0 | 0 | 0 | 109.6 | K273 G274 | D113-K273 PolarHBondContact N-O 3.21Å; D113-G274 WeakPolarHBondContact OD1-CA 3.4Å; D113-G274 PolarHBondContact OD2-N 3.14Å |
| 114 | E | 85.4 | Confident | 75.7 | Confident | 173 Ų | 173 | 90 Ų | 90 | 81% | 0.808 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 141 | 167.9 | -68.7 | -171.6 | 173.8 | 0 | 0 | 109.9 | K116 | E114-K116 PolarHBondContact O-N 2.99Š|
| 115 | P | 75.3 | Confident | 73.5 | Confident | 122 Ų | 122 | 94.8 Ų | 94.8 | 79% | 0.792 | 50% | 0.497 | S | S | * | . | trans | -54.4 | 114.6 | 174.9 | -22.4 | 31.7 | 0 | 0 | 0 | 110 | T117 | P115-T117 PolarHBondContact O-N 3.06Š| ||
| 116 | K | 65.7 | Low | 71.6 | Confident | 150 Ų | 150 | 99.9 Ų | 99.9 | 65% | 0.652 | 52% | 0.523 | S | S | * | . | trans | -65.1 | 110.4 | 174.7 | -63.4 | -179.4 | -175.1 | 172.7 | 0 | 107.6 | E114 D118 | E114-K116 PolarHBondContact O-N 2.99Å; K116-D118 PolarHBondContact O-N 3.27Å | ||
| 117 | T | 61.7 | Low | 69.7 | Low | 140 Ų | 140 | 108.5 Ų | 108.5 | 86% | 0.859 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -67.2 | -15.1 | 176.8 | 41.6 | 0 | 0 | 0 | 0 | 113 | P115 I119 | P115-T117 PolarHBondContact O-N 3.06Å; T117-I119 PolarHBondContact O-N 3.45Å |
| 118 | D | 58.2 | Low | 68.3 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | trans | -95.5 | 92.6 | -177.2 | -160 | -3.5 | 0 | 0 | 0 | 111.8 | K116 N120 K121 | K116-D118 PolarHBondContact O-N 3.27Å; D118-N120 PolarHBondContact O-N 3.34Å; D118-N120 VanDerWaalsContact O-N 3.13Å; D118-N120 PolarHBondContact OD1-N 2.88Å; D118-K121 PolarHBondContact O-N 2.95Å | ||
| 119 | I | 54.2 | Low | 67.7 | Low | 132 Ų | 132 | 117.8 Ų | 117.8 | 68% | 0.677 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -54.2 | -28.7 | 178.3 | -69 | 165.8 | 0 | 0 | 0 | 111.6 | T117 K121 T122 | T117-I119 PolarHBondContact O-N 3.45Å; I119-K121 VanDerWaalsContact C-N 3.33Å; I119-K121 PolarHBondContact O-N 3.08Å; I119-T122 WeakPolarHBondContact O-CB 3.32Å; I119-T122 PolarHBondContact O-N 3.3Å; I119-T122 VanDerWaalsContact O-N 3.17Å; I119-T122 PolarHBondContact O-OG1 3.04Å |
| 120 | N | 50.6 | Low | 67.6 | Low | 141 Ų | 141 | 118.1 Ų | 118.1 | 75% | 0.754 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -77 | -10.4 | -172.8 | -75.7 | -18.5 | 0 | 0 | 0 | 115 | D118 | D118-N120 PolarHBondContact O-N 3.34Å; D118-N120 VanDerWaalsContact O-N 3.13Å; D118-N120 PolarHBondContact OD1-N 2.88Å |
| 121 | K | 50 | Low | 67.5 | Low | 163 Ų | 163 | 117.2 Ų | 117.2 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -90 | -6.3 | 169.4 | -77.1 | -176.7 | 179 | 174.7 | 0 | 113.8 | D118 I119 | D118-K121 PolarHBondContact O-N 2.95Å; I119-K121 VanDerWaalsContact C-N 3.33Å; I119-K121 PolarHBondContact O-N 3.08Å |
| 122 | T | 50 | Low | 67.6 | Low | 98 Ų | 98 | 114.3 Ų | 114.3 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -17.3 | -173.5 | -46.6 | 0 | 0 | 0 | 0 | 113.6 | I119 | I119-T122 WeakPolarHBondContact O-CB 3.32Å; I119-T122 PolarHBondContact O-N 3.3Å; I119-T122 VanDerWaalsContact O-N 3.17Å; I119-T122 PolarHBondContact O-OG1 3.04Å |
| 123 | I | 44.1 | Very low | 67.6 | Low | 140 Ų | 140 | 118.3 Ų | 118.3 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -5 | -176.6 | -58.8 | 178.3 | 0 | 0 | 0 | 113.4 | L125 | I123-L125 PolarHBondContact O-N 3.27Š|
| 124 | Q | 47.2 | Very low | 67.8 | Low | 163 Ų | 163 | 118 Ų | 118 | 76% | 0.762 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -68.2 | 95.1 | 152.4 | -70.3 | -149.6 | 13.5 | 0 | 0 | 106.1 | I126 | Q124-I126 PolarHBondContact O-N 3.42Š|
| 125 | L | 48.7 | Very low | 68.4 | Low | 158 Ų | 158 | 110.8 Ų | 110.8 | 83% | 0.827 | 58% | 0.575 | S | S | * | * | trans | -47.4 | 80.8 | 155.2 | -73.3 | 152.8 | 0 | 0 | 0 | 106.3 | I123 K127 | I123-L125 PolarHBondContact O-N 3.27Å; L125-K127 PolarHBondContact O-N 2.04Å | ||
| 126 | I | 53.7 | Low | 69.5 | Low | 107 Ų | 107 | 110 Ų | 110 | 55% | 0.549 | 57% | 0.565 | S | S | . | * | trans | -59.8 | 94.7 | 163.9 | -65 | 168 | 0 | 0 | 0 | 101 | Q124 L128 K272 | Q124-I126 PolarHBondContact O-N 3.42Å; I126-L128 PolarHBondContact O-N 3.24Å; I126-K272 WeakPolarHBondContact O-CE 3.31Å; I126-K272 PolarHBondContact O-NZ 2.68Å | ||
| 127 | K | 55 | Low | 71.1 | Confident | 189 Ų | 189 | 106.7 Ų | 106.7 | 82% | 0.822 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 122.9 | 171.8 | -77.9 | -177.4 | 175.1 | -179.3 | 0 | 103.9 | L125 E129 | L125-K127 PolarHBondContact O-N 2.04Å; K127-E129 PolarHBondContact O-N 3.46Å; K127-E129 VanDerWaalsContact O-N 3.09Å |
| 128 | L | 66.3 | Low | 72.8 | Confident | 62 Ų | 62 | 100.8 Ų | 100.8 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 125 | 168.5 | -81.1 | 156.8 | 0 | 0 | 0 | 104.6 | I126 D130 T269 K272 | I126-L128 PolarHBondContact O-N 3.24Å; L128-D130 PolarHBondContact O-N 3.15Å; L128-T269 HydrophobicContact CD1-CG2 3.84Å; L128-K272 HydrophobicContact CD2-CD 3.99Å; L128-K272 HydrophobicContact CD2-CG 4.04Å; L128-K272 HydrophobicContact CG-CD 4.19Å |
| 129 | E | 84.1 | Confident | 74.7 | Confident | 149 Ų | 149 | 96.9 Ų | 96.9 | 70% | 0.696 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 131 | 166.7 | -175.9 | 174.8 | -169.5 | 0 | 0 | 106.5 | K127 I131 | K127-E129 PolarHBondContact O-N 3.46Å; K127-E129 VanDerWaalsContact O-N 3.09Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 HydrophobicContact CB-CD1 4.49Å; E129-I131 PolarHBondContact O-N 3.48Å |
| 130 | D | 92.5 | Very high | 76.8 | Confident | 61 Ų | 61 | 90.6 Ų | 90.6 | 33% | 0.326 | 46% | 0.461 | S | S | . | . | trans | -65.4 | 99.3 | 173.5 | 175.3 | 7.4 | 0 | 0 | 0 | 107.6 | L128 A132 K133 N265 | L128-D130 PolarHBondContact O-N 3.15Å; D130-A132 PolarHBondContact O-N 3.47Å; D130-A132 VanDerWaalsContact OD1-CB 3.28Å; D130-A132 WeakPolarHBondContact OD1-CB 3.33Å; D130-A132 PolarHBondContact OD1-N 3.09Å; D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 WeakPolarHBondContact O-CB 3.42Å; D130-K133 PolarHBondContact O-N 3.3Å; D130-K133 VanDerWaalsContact O-N 3.1Å; D130-K133 PolarHBondContact OD1-N 2.86Å; D130-N265 PolarHBondContact OD1-ND2 3.24Å | ||
| 131 | I | 94.9 | Very high | 79.1 | Confident | 12 Ų | 12 | 84.3 Ų | 84.3 | 6% | 0.062 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26 | -178.2 | -57 | -59 | 0 | 0 | 0 | 110.4 | E129 K133 K135 N216 Y264 N265 F268 | E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 HydrophobicContact CB-CD1 4.49Å; E129-I131 PolarHBondContact O-N 3.48Å; I131-K133 VanDerWaalsContact C-N 3.25Å; I131-K133 PolarHBondContact O-N 3.38Å; I131-K135 WeakPolarHBondContact O-CD 3.46Å; I131-K135 WeakPolarHBondContact O-CE 3.35Å; I131-N216 HydrophobicContact CG2-CB 3.84Å; I131-N216 WeakPolarHBondContact CG2-O 3.19Å; I131-Y264 HydrophobicContact CB-CE1 4.18Å; I131-Y264 HydrophobicContact CG2-CE1 4.05Å; I131-N265 WeakPolarHBondContact CB-OD1 3.47Å; I131-N265 PolarHBondContact N-OD1 2.88Å; I131-F268 HydrophobicContact CB-CD2 4.21Å; I131-F268 HydrophobicContact CB-CG 4.29Å; I131-F268 HydrophobicContact CG1-CB 3.88Å; I131-F268 HydrophobicContact CG1-CD1 4.35Å; I131-F268 HydrophobicContact CG1-CD2 4.3Å; I131-F268 HydrophobicContact CG1-CG 3.92Å; I131-F268 HydrophobicContact CG2-CD1 4.24Å; I131-F268 HydrophobicContact CG2-CD2 4.18Å; I131-F268 HydrophobicContact CG2-CE1 4.16Å; I131-F268 HydrophobicContact CG2-CE2 4.12Å; I131-F268 HydrophobicContact CG2-CG 4.23Å; I131-F268 HydrophobicContact CG2-CZ 4.09Å |
| 132 | A | 96.4 | Very high | 81.4 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.033 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -25.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D130 G134 K135 D261 Y264 | D130-A132 PolarHBondContact O-N 3.47Å; D130-A132 VanDerWaalsContact OD1-CB 3.28Å; D130-A132 WeakPolarHBondContact OD1-CB 3.33Å; D130-A132 PolarHBondContact OD1-N 3.09Å; A132-G134 PolarHBondContact O-N 3.31Å; A132-K135 WeakPolarHBondContact O-CB 3.4Å; A132-K135 PolarHBondContact O-N 2.83Å; A132-K135 VanDerWaalsContact O-N 3.08Å; A132-D261 HydrophobicContact CB-CB 3.94Å; A132-D261 VanDerWaalsContact CB-OD1 3.3Å; A132-D261 WeakPolarHBondContact CB-OD1 3.4Å; A132-Y264 HydrophobicContact CB-CD1 3.71Å; A132-Y264 HydrophobicContact CB-CE1 4.04Å |
| 133 | K | 95.7 | Very high | 83.6 | Confident | 169 Ų | 169 | 74 Ų | 74 | 74% | 0.735 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 123.5 | -173.5 | -170.8 | 178.8 | 179.2 | -178 | 0 | 112 | D130 I131 K135 | D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 WeakPolarHBondContact O-CB 3.42Å; D130-K133 PolarHBondContact O-N 3.3Å; D130-K133 VanDerWaalsContact O-N 3.1Å; D130-K133 PolarHBondContact OD1-N 2.86Å; I131-K133 VanDerWaalsContact C-N 3.25Å; I131-K133 PolarHBondContact O-N 3.38Å; K133-K135 VanDerWaalsContact C-N 3.27Å; K133-K135 PolarHBondContact O-N 2.89Å |
| 134 | G | 95.1 | Very high | 85.9 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -9.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | A132 D136 | A132-G134 PolarHBondContact O-N 3.31Å; G134-D136 PolarHBondContact O-N 2.8Å |
| 135 | K | 98.1 | Very high | 88.1 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | trans | -76.4 | 122.3 | 173.1 | -63.5 | 174.6 | 177.1 | -70.6 | 0 | 109.6 | I131 A132 K133 K186 H188 Y189 K190 N216 | I131-K135 WeakPolarHBondContact O-CD 3.46Å; I131-K135 WeakPolarHBondContact O-CE 3.35Å; A132-K135 WeakPolarHBondContact O-CB 3.4Å; A132-K135 PolarHBondContact O-N 2.83Å; A132-K135 VanDerWaalsContact O-N 3.08Å; K133-K135 VanDerWaalsContact C-N 3.27Å; K133-K135 PolarHBondContact O-N 2.89Å; K135-K186 PolarHBondContact NZ-O 3.44Å; K135-H188 CarbonylContact C-O 3.57Å; K135-H188 WeakPolarHBondContact CA-O 3.19Å; K135-Y189 VanDerWaalsContact CD-O 3.32Å; K135-Y189 WeakPolarHBondContact CD-O 3.31Å; K135-Y189 WeakPolarHBondContact CE-O 3.46Å; K135-Y189 PolarHBondContact NZ-O 3.12Å; K135-K190 HydrophobicContact CB-CG 3.88Å; K135-K190 HydrophobicContact CD-CG 3.95Å; K135-N216 WeakPolarHBondContact CE-O 3.49Å; K135-N216 PolarHBondContact NZ-O 2.72Å | ||
| 136 | D | 97.7 | Very high | 90.4 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | trans | -116.9 | 0.7 | -173.3 | 63.1 | -28.4 | 0 | 0 | 0 | 113.3 | G134 H188 | G134-D136 PolarHBondContact O-N 2.8Å; D136-H188 PolarHBondContact N-O 3.35Å; D136-H188 WeakPolarHBondContact OD1-CB 3.47Å; D136-H188 IonicContact OD1-CE1 3.98Å; D136-H188 IonicContact OD1-CG 2.81Å; D136-H188 IonicContact OD1-ND1 3.76Å; D136-H188 PolarHBondContact OD1-ND1 2.69Å; D136-H188 IonicContact OD2-ND1 3.61Å | ||
| 137 | R | 98.3 | Very high | 92.3 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.6 | -178 | -55.4 | 179.4 | -164.3 | -178.3 | 1.8 | 111.2 | Y168 H188 Y189 K190 | R137-Y168 PolarHBondContact NH1-OH 2.96Å; R137-H188 WeakPolarHBondContact CA-O 3.42Å; R137-H188 WeakPolarHBondContact CB-O 3.11Å; R137-H188 HydrophobicContact CG-CB 4.27Å; R137-H188 PolarHBondContact N-O 3.04Å; R137-Y189 HydrophobicContact CB-CD1 3.53Å; R137-Y189 HydrophobicContact CB-CD2 4.44Å; R137-Y189 HydrophobicContact CB-CE1 3.45Å; R137-Y189 VanDerWaalsContact CB-CE1 3.45Å; R137-Y189 HydrophobicContact CB-CE2 4.34Å; R137-Y189 HydrophobicContact CB-CG 4.08Å; R137-Y189 WeakPolarHBondContact CD-OH 3.22Å; R137-Y189 HydrophobicContact CG-CE1 4.26Å; R137-Y189 PolarHBondContact NH1-OH 3.29Å; R137-Y189 WeakPolarHBondContact O-CA 3.35Å; R137-K190 PolarHBondContact O-N 3.21Å; R137-K190 VanDerWaalsContact O-N 3.08Å |
| 138 | A | 98.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -79.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I163 K190 F191 | A138-I163 HydrophobicContact CB-CD1 3.99Å; A138-I163 HydrophobicContact CB-CG1 3.99Å; A138-K190 PolarHBondContact O-N 3.09Å; A138-F191 VanDerWaalsContact O-CD2 3.29Å; A138-F191 WeakPolarHBondContact O-CD2 3.31Å; A138-F191 PolarHBondContact O-N 3.17Å |
| 139 | V | 98.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.1 | -168.1 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | I163 T164 V165 D166 Y189 F191 L193 L254 | V139-I163 HydrophobicContact CG2-CD1 4.05Å; V139-I163 HydrophobicContact CG2-CG1 4.31Å; V139-I163 HydrophobicContact CG2-CG2 4.26Å; V139-T164 WeakPolarHBondContact CB-O 3.2Å; V139-T164 PolarHBondContact N-O 3.5Å; V139-V165 HydrophobicContact CB-CG2 4.11Å; V139-V165 HydrophobicContact CG1-CG1 4.18Å; V139-V165 HydrophobicContact CG1-CG2 4.2Å; V139-D166 PolarHBondContact O-N 2.97Å; V139-Y189 VanDerWaalsContact C-CD1 3.4Å; V139-Y189 WeakPolarHBondContact O-CE1 3.11Å; V139-F191 WeakPolarHBondContact CA-O 3.04Å; V139-F191 HydrophobicContact CG2-CB 4.12Å; V139-F191 HydrophobicContact CG2-CD2 4.06Å; V139-L193 HydrophobicContact CG1-CD1 4.21Å; V139-L193 HydrophobicContact CG1-CD2 3.57Å; V139-L193 HydrophobicContact CG1-CG 3.53Å; V139-L254 HydrophobicContact CG2-CD1 4.18Å |
| 140 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 146.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V185 Y189 F191 Y192 L193 | A140-V185 HydrophobicContact CB-CG2 3.96Å; A140-Y189 HydrophobicContact CB-CD1 3.49Å; A140-Y189 VanDerWaalsContact CB-CD1 3.49Å; A140-Y189 HydrophobicContact CB-CD2 3.88Å; A140-Y189 HydrophobicContact CB-CE1 3.79Å; A140-Y189 HydrophobicContact CB-CE2 4.18Å; A140-Y189 HydrophobicContact CB-CG 3.5Å; A140-Y189 VanDerWaalsContact N-CD1 3.3Å; A140-F191 PolarHBondContact N-O 3.08Å; A140-Y192 HydrophobicContact CB-CD2 4.13Å; A140-Y192 WeakPolarHBondContact O-CA 3.5Å; A140-L193 PolarHBondContact O-N 3Å |
| 141 | W | 98.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 114.1 | 169 | -170.9 | 28.2 | 0 | 0 | 0 | 111.3 | V143 R152 A156 V165 D166 V167 Y168 L193 F195 | W141-V143 HydrophobicContact CD2-CB 4.23Å; W141-V143 HydrophobicContact CD2-CG1 3.94Å; W141-V143 HydrophobicContact CE3-CG1 4.12Å; W141-V143 HydrophobicContact CG-CG1 4.42Å; W141-V143 HydrophobicContact CH2-CG1 4.36Å; W141-V143 HydrophobicContact CH2-CG2 4.43Å; W141-V143 HydrophobicContact CZ2-CB 4.06Å; W141-V143 HydrophobicContact CZ2-CG1 4.22Å; W141-V143 HydrophobicContact CZ2-CG2 3.91Å; W141-V143 HydrophobicContact CZ3-CG1 4.31Å; W141-R152 HydrophobicContact CH2-CG 4.42Å; W141-R152 HydrophobicContact CZ2-CB 4.42Å; W141-R152 HydrophobicContact CZ2-CG 4.06Å; W141-A156 HydrophobicContact CD2-CB 4.41Å; W141-A156 HydrophobicContact CE3-CB 3.56Å; W141-A156 HydrophobicContact CH2-CB 3.73Å; W141-A156 HydrophobicContact CZ3-CB 3.18Å; W141-V165 HydrophobicContact CB-CG1 4.23Å; W141-D166 PolarHBondContact N-O 2.85Å; W141-V167 HydrophobicContact CE3-CG1 3.98Å; W141-V167 HydrophobicContact CE3-CG2 4.1Å; W141-V167 WeakPolarHBondContact O-CA 3.33Å; W141-Y168 PolarHBondContact O-N 3.16Å; W141-L193 HydrophobicContact CB-CB 3.94Å; W141-L193 HydrophobicContact CB-CD1 3.95Å; W141-L193 HydrophobicContact CB-CG 4.12Å; W141-L193 VanDerWaalsContact CD1-O 3.26Å; W141-L193 HydrophobicContact CD2-CB 4.44Å; W141-L193 HydrophobicContact CD2-CD1 4.08Å; W141-L193 HydrophobicContact CE3-CD1 4.33Å; W141-L193 HydrophobicContact CG-CB 3.73Å; W141-L193 HydrophobicContact CG-CD1 3.94Å; W141-L193 HydrophobicContact CG-CG 4.26Å; W141-F195 HydrophobicContact CZ2-CD2 4.43Å |
| 142 | I | 97.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115 | 175.6 | -55.8 | 159.7 | 0 | 0 | 0 | 108.3 | C181 V185 Y192 | I142-C181 HydrophobicContact CD1-CB 3.67Å; I142-V185 HydrophobicContact CD1-CG2 3.92Å; I142-Y192 HydrophobicContact CB-CE2 4.33Å; I142-Y192 HydrophobicContact CD1-CE2 3.85Å; I142-Y192 HydrophobicContact CG1-CE2 4Å |
| 143 | V | 96.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | trans | -141.5 | 128.6 | -172.3 | 57.5 | 0 | 0 | 0 | 0 | 112 | W141 V167 Y168 G169 R170 C171 | W141-V143 HydrophobicContact CD2-CB 4.23Å; W141-V143 HydrophobicContact CD2-CG1 3.94Å; W141-V143 HydrophobicContact CE3-CG1 4.12Å; W141-V143 HydrophobicContact CG-CG1 4.42Å; W141-V143 HydrophobicContact CH2-CG1 4.36Å; W141-V143 HydrophobicContact CH2-CG2 4.43Å; W141-V143 HydrophobicContact CZ2-CB 4.06Å; W141-V143 HydrophobicContact CZ2-CG1 4.22Å; W141-V143 HydrophobicContact CZ2-CG2 3.91Å; W141-V143 HydrophobicContact CZ3-CG1 4.31Å; V143-V167 HydrophobicContact CG1-CG1 3.61Å; V143-Y168 PolarHBondContact N-O 2.77Å; V143-G169 CarbonylContact O-C 3.53Å; V143-R170 PolarHBondContact O-N 3.1Å; V143-R170 VanDerWaalsContact O-N 3.15Å; V143-C171 HydrophobicContact CG1-CB 3.84Å; V143-C171 HydrophobicContact CG2-CB 4.39Å; V143-C171 PolarHBondContact O-N 3.36Å | ||
| 144 | S | 93.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 44.9 Ų | 44.9 | 58% | 0.58 | 26% | 0.261 | S | S | * | . | trans | -117 | -25.3 | -179.8 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 145 | N | 93.7 | Very high | 96.4 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | trans | -92.8 | 99.3 | 175.4 | 172.4 | 19.3 | 0 | 0 | 0 | 110.1 | N147 R152 N197 | N145-N147 VanDerWaalsContact C-N 3.31Å; N145-N147 PolarHBondContact O-N 3.18Å; N145-N147 PolarHBondContact OD1-N 2.89Å; N145-R152 PolarHBondContact O-NH2 2.83Å; N145-N197 PolarHBondContact ND2-OD1 3.08Å; N145-N197 VanDerWaalsContact ND2-OD1 3.1Å | ||
| 146 | C | 95.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 29% | 0.291 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -83.3 | -8.1 | -174.8 | -45 | 0 | 0 | 0 | 0 | 113.7 | P148 N153 C171 | C146-P148 VanDerWaalsContact O-CD 3.31Å; C146-P148 WeakPolarHBondContact O-CD 3.44Å; C146-N153 PolarHBondContact O-ND2 2.99Å; C146-C171 WeakPolarHBondContact CA-SG 3.47Å; C146-C171 HydrophobicContact CB-CB 3.86Å; C146-C171 WeakPolarHBondContact CB-SG 3.39Å; C146-C171 PolarHBondContact N-SG 2.82Å; C146-C171 WeakPolarHBondContact SG-CA 3.22Å; C146-C171 WeakPolarHBondContact SG-CB 3.14Å; C146-C171 CovalentContact SG-SG 2.04Å; C146-C171 PolarHBondContact SG-SG 2.69Å |
| 147 | N | 94.6 | Very high | 96.3 | Very high | 137 Ų | 137 | 40.6 Ų | 40.6 | 73% | 0.733 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -122.5 | 61 | 178.7 | -62.2 | -55.1 | 0 | 0 | 0 | 110.6 | N145 | N145-N147 VanDerWaalsContact C-N 3.31Å; N145-N147 PolarHBondContact O-N 3.18Å; N145-N147 PolarHBondContact OD1-N 2.89Å |
| 148 | P | 94.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | trans | -65 | 162.8 | 178.2 | 30.3 | -35.4 | 0 | 0 | 0 | 111.9 | C146 R152 | C146-P148 VanDerWaalsContact O-CD 3.31Å; C146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-R152 HydrophobicContact CB-CG 4.05Å; P148-R152 HydrophobicContact CG-CG 3.63Å | ||
| 149 | K | 94.7 | Very high | 96.3 | Very high | 137 Ų | 137 | 37.4 Ų | 37.4 | 60% | 0.596 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -94.8 | 21.8 | 168.8 | -59.3 | -61.9 | -173.2 | -177.2 | 0 | 111.8 | L79 N197 | L79-K149 HydrophobicContact CB-CB 3.97Å; L79-K149 HydrophobicContact CB-CG 4Å; L79-K149 HydrophobicContact CD1-CB 3.66Å; L79-K149 HydrophobicContact CD1-CG 4.49Å; L79-K149 HydrophobicContact CG-CB 4.46Å; K149-N197 CarbonylContact C-O 3.56Å; K149-N197 PolarHBondContact N-O 3.27Å |
| 150 | S | 95 | Very high | 96.3 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -124.8 | 159.6 | 174.3 | 70.2 | 0 | 0 | 0 | 0 | 110 | R152 E196 N197 | S150-R152 PolarHBondContact O-N 3.26Å; S150-R152 VanDerWaalsContact O-N 3.08Å; S150-R152 WeakPolarHBondContact OG-CG 3.4Å; S150-E196 WeakPolarHBondContact CB-O 3.49Å; S150-E196 PolarHBondContact OG-O 2.79Å; S150-N197 PolarHBondContact N-O 3.43Å; S150-N197 PolarHBondContact OG-O 3.1Å |
| 151 | P | 94.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 15.4 | 178.7 | 34.1 | -38.1 | 0 | 0 | 0 | 113.6 | N153 A154 Y155 L199 M222 L318 | P151-N153 VanDerWaalsContact C-N 3.3Å; P151-N153 PolarHBondContact O-N 2.84Å; P151-A154 PolarHBondContact O-N 2.97Å; P151-A154 VanDerWaalsContact O-N 3.12Å; P151-Y155 PolarHBondContact O-N 3.45Å; P151-L199 HydrophobicContact CG-CD1 4.34Å; P151-M222 HydrophobicContact CG-SD 4.3Å; P151-L318 HydrophobicContact CG-CD1 3.48Å; P151-L318 VanDerWaalsContact CG-CD1 3.48Å; P151-L318 HydrophobicContact CG-CG 4.15Å |
| 152 | R | 96.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -35.5 | -168.8 | 68.8 | 176.3 | -170.5 | -158.5 | -12.4 | 114.8 | W141 N145 P148 S150 Y155 A156 F195 E196 N197 M222 | W141-R152 HydrophobicContact CH2-CG 4.42Å; W141-R152 HydrophobicContact CZ2-CB 4.42Å; W141-R152 HydrophobicContact CZ2-CG 4.06Å; N145-R152 PolarHBondContact O-NH2 2.83Å; P148-R152 HydrophobicContact CB-CG 4.05Å; P148-R152 HydrophobicContact CG-CG 3.63Å; S150-R152 PolarHBondContact O-N 3.26Å; S150-R152 VanDerWaalsContact O-N 3.08Å; S150-R152 WeakPolarHBondContact OG-CG 3.4Å; R152-Y155 PolarHBondContact O-N 3.05Å; R152-A156 VanDerWaalsContact O-CB 3.29Å; R152-A156 WeakPolarHBondContact O-CB 3.5Å; R152-A156 PolarHBondContact O-N 2.74Å; R152-F195 HydrophobicContact CB-CB 3.72Å; R152-F195 HydrophobicContact CB-CD2 3.84Å; R152-F195 HydrophobicContact CB-CG 4.17Å; R152-F195 HydrophobicContact CG-CB 4.5Å; R152-F195 PolarHBondContact NH1-O 3.07Å; R152-F195 VanDerWaalsContact NH1-O 3.16Å; R152-E196 WeakPolarHBondContact CD-O 3.47Å; R152-N197 PolarHBondContact NH1-OD1 2.86Å; R152-N197 PolarHBondContact NH2-OD1 3.11Å; R152-M222 HydrophobicContact CB-SD 3.79Å |
| 153 | N | 96.3 | Very high | 96.3 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -50.7 | 177.9 | -64.6 | 6.8 | 0 | 0 | 0 | 109.8 | C146 P151 Y155 A156 D157 | C146-N153 PolarHBondContact O-ND2 2.99Å; P151-N153 VanDerWaalsContact C-N 3.3Å; P151-N153 PolarHBondContact O-N 2.84Å; N153-Y155 VanDerWaalsContact C-N 3.27Å; N153-Y155 PolarHBondContact O-N 2.99Å; N153-A156 PolarHBondContact O-N 3.36Å; N153-D157 WeakPolarHBondContact O-CB 3.37Å; N153-D157 PolarHBondContact O-N 3.43Å |
| 154 | A | 96 | Very high | 96.4 | Very high | 28 Ų | 28 | 53 Ų | 53 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P151 E158 W320 K322 | P151-A154 PolarHBondContact O-N 2.97Å; P151-A154 VanDerWaalsContact O-N 3.12Å; A154-E158 WeakPolarHBondContact O-CB 3.47Å; A154-E158 PolarHBondContact O-N 3.42Å; A154-E158 VanDerWaalsContact O-N 3.09Å; A154-W320 HydrophobicContact CB-CH2 4.43Å; A154-W320 WeakPolarHBondContact O-CH2 3.5Å; A154-K322 HydrophobicContact CB-CD 4.23Å |
| 155 | Y | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.9 | -45.3 | 176.1 | -163.9 | -71.3 | 0 | 0 | 0 | 111.8 | P151 R152 N153 E158 L159 F195 M222 V241 P247 L250 L318 W320 | P151-Y155 PolarHBondContact O-N 3.45Å; R152-Y155 PolarHBondContact O-N 3.05Å; N153-Y155 VanDerWaalsContact C-N 3.27Å; N153-Y155 PolarHBondContact O-N 2.99Å; Y155-E158 PolarHBondContact O-N 2.85Å; Y155-L159 VanDerWaalsContact O-CB 3.31Å; Y155-L159 WeakPolarHBondContact O-CB 3.34Å; Y155-L159 PolarHBondContact O-N 2.92Å; Y155-F195 AromaticContact CD1-CE2 3.89Å; Y155-F195 HydrophobicContact CD1-CE2 3.89Å; Y155-F195 AromaticContact CD1-CZ 3.76Å; Y155-F195 HydrophobicContact CD1-CZ 3.76Å; Y155-F195 HydrophobicContact CE1-CZ 4.14Å; Y155-F195 HydrophobicContact CG-CE2 4.45Å; Y155-M222 HydrophobicContact CD1-CE 3.85Å; Y155-M222 HydrophobicContact CD2-CE 3.33Å; Y155-M222 HydrophobicContact CE2-CE 4.1Å; Y155-M222 HydrophobicContact CG-CE 3.22Å; Y155-V241 HydrophobicContact CD1-CG1 4.38Å; Y155-V241 HydrophobicContact CE1-CB 4.32Å; Y155-V241 HydrophobicContact CE1-CG1 3.7Å; Y155-V241 HydrophobicContact CE2-CB 3.91Å; Y155-V241 HydrophobicContact CE2-CG1 4.12Å; Y155-V241 HydrophobicContact CE2-CG2 4.49Å; Y155-V241 WeakPolarHBondContact OH-CB 3.35Å; Y155-P247 HydrophobicContact CD1-CB 4.49Å; Y155-P247 HydrophobicContact CD1-CG 4.1Å; Y155-P247 HydrophobicContact CD2-CG 4.11Å; Y155-P247 HydrophobicContact CE1-CB 4.02Å; Y155-P247 HydrophobicContact CE1-CG 3.82Å; Y155-P247 HydrophobicContact CE2-CG 3.84Å; Y155-P247 HydrophobicContact CG-CG 4.21Å; Y155-L250 HydrophobicContact CE1-CD2 3.87Å; Y155-L318 HydrophobicContact CD2-CD1 4.18Å; Y155-W320 HydrophobicContact CD2-CB 4.47Å; Y155-W320 AromaticContact CD2-CD2 3.95Å; Y155-W320 HydrophobicContact CD2-CD2 3.95Å; Y155-W320 AromaticContact CD2-CE3 3.3Å; Y155-W320 HydrophobicContact CD2-CE3 3.3Å; Y155-W320 HydrophobicContact CD2-CG 4.47Å; Y155-W320 AromaticContact CD2-CZ3 3.72Å; Y155-W320 HydrophobicContact CD2-CZ3 3.72Å; Y155-W320 HydrophobicContact CE2-CB 4Å; Y155-W320 HydrophobicContact CE2-CD2 4.18Å; Y155-W320 AromaticContact CE2-CE3 3.97Å; Y155-W320 HydrophobicContact CE2-CE3 3.97Å; Y155-W320 HydrophobicContact CE2-CG 4.26Å; Y155-W320 HydrophobicContact CG-CE3 4.11Å; Y155-W320 HydrophobicContact CG-CZ3 4.06Å |
| 156 | A | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W141 R152 N153 E158 L159 S160 L193 F195 | W141-A156 HydrophobicContact CD2-CB 4.41Å; W141-A156 HydrophobicContact CE3-CB 3.56Å; W141-A156 HydrophobicContact CH2-CB 3.73Å; W141-A156 HydrophobicContact CZ3-CB 3.18Å; R152-A156 VanDerWaalsContact O-CB 3.29Å; R152-A156 WeakPolarHBondContact O-CB 3.5Å; R152-A156 PolarHBondContact O-N 2.74Å; N153-A156 PolarHBondContact O-N 3.36Å; A156-E158 VanDerWaalsContact C-N 3.33Å; A156-E158 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 2.6Å; A156-S160 WeakPolarHBondContact O-CB 3.49Å; A156-S160 PolarHBondContact O-N 2.82Å; A156-L193 HydrophobicContact CB-CD1 4.12Å; A156-F195 HydrophobicContact CB-CE2 4.21Å |
| 157 | D | 96.9 | Very high | 97.1 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.8 | -66.8 | -20.6 | 0 | 0 | 0 | 111 | N153 S160 | N153-D157 WeakPolarHBondContact O-CB 3.37Å; N153-D157 PolarHBondContact O-N 3.43Å; D157-S160 PolarHBondContact O-N 2.98Å; D157-S160 PolarHBondContact O-OG 3.2Å |
| 158 | E | 98 | Very high | 97.2 | Very high | 28 Ų | 28 | 43 Ų | 43 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 176.9 | -171.3 | 61 | -145.4 | 0 | 0 | 111.4 | A154 Y155 A156 S160 K161 Y162 P247 W320 | A154-E158 WeakPolarHBondContact O-CB 3.47Å; A154-E158 PolarHBondContact O-N 3.42Å; A154-E158 VanDerWaalsContact O-N 3.09Å; Y155-E158 PolarHBondContact O-N 2.85Å; A156-E158 VanDerWaalsContact C-N 3.33Å; A156-E158 PolarHBondContact O-N 2.92Å; E158-S160 VanDerWaalsContact C-N 3.29Å; E158-S160 PolarHBondContact O-N 2.83Å; E158-K161 WeakPolarHBondContact O-CB 3.46Å; E158-K161 PolarHBondContact O-N 3.29Å; E158-K161 IonicContact OE1-NZ 2.68Å; E158-K161 WeakPolarHBondContact OE2-CE 3.3Å; E158-K161 IonicContact OE2-NZ 3.99Å; E158-K161 PolarHBondContact OE2-NZ 2.8Å; E158-Y162 HydrophobicContact CG-CE2 4.18Å; E158-Y162 WeakPolarHBondContact O-CD2 3.42Å; E158-Y162 WeakPolarHBondContact O-CE2 3.28Å; E158-Y162 WeakPolarHBondContact OE1-CE2 3.27Å; E158-Y162 PolarHBondContact OE1-OH 3.46Å; E158-P247 HydrophobicContact CB-CB 4.29Å; E158-P247 HydrophobicContact CB-CG 3.99Å; E158-P247 HydrophobicContact CG-CB 4.02Å; E158-P247 HydrophobicContact CG-CG 3.77Å; E158-W320 HydrophobicContact CB-CH2 3.99Å; E158-W320 HydrophobicContact CB-CZ2 3.86Å; E158-W320 HydrophobicContact CG-CH2 4.44Å; E158-W320 HydrophobicContact CG-CZ2 3.79Å |
| 159 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 176.6 | -176.6 | 63.7 | 0 | 0 | 0 | 111.9 | Y155 A156 K161 Y162 I163 V165 L193 P247 L250 A251 | Y155-L159 VanDerWaalsContact O-CB 3.31Å; Y155-L159 WeakPolarHBondContact O-CB 3.34Å; Y155-L159 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 2.6Å; L159-K161 PolarHBondContact O-N 2.73Å; L159-K161 VanDerWaalsContact O-N 3.1Å; L159-Y162 PolarHBondContact O-N 3.18Å; L159-I163 HydrophobicContact CD1-CG2 3.85Å; L159-I163 HydrophobicContact CG-CG2 3.88Å; L159-I163 PolarHBondContact O-N 2.91Å; L159-V165 HydrophobicContact CD2-CG2 4.31Å; L159-V165 HydrophobicContact CG-CG2 4.27Å; L159-L193 HydrophobicContact CD2-CD1 4.39Å; L159-L193 HydrophobicContact CD2-CD2 3.98Å; L159-P247 HydrophobicContact CB-CB 4.12Å; L159-P247 HydrophobicContact CD1-CB 4.25Å; L159-P247 VanDerWaalsContact CD1-O 3.31Å; L159-P247 WeakPolarHBondContact CD1-O 3.31Å; L159-L250 HydrophobicContact CD1-CD2 4.16Å; L159-L250 HydrophobicContact CD1-CG 4.31Å; L159-L250 HydrophobicContact CD2-CD2 4.38Å; L159-A251 HydrophobicContact CD1-CB 3.91Å |
| 160 | S | 98.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 43% | 0.427 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.9 | -178.6 | 73.9 | 0 | 0 | 0 | 0 | 114.4 | A156 D157 E158 Y162 I163 | A156-S160 WeakPolarHBondContact O-CB 3.49Å; A156-S160 PolarHBondContact O-N 2.82Å; D157-S160 PolarHBondContact O-N 2.98Å; D157-S160 PolarHBondContact O-OG 3.2Å; E158-S160 VanDerWaalsContact C-N 3.29Å; E158-S160 PolarHBondContact O-N 2.83Å; S160-Y162 PolarHBondContact O-N 3.12Å; S160-I163 WeakPolarHBondContact CA-O 3.14Å |
| 161 | K | 98.5 | Very high | 97.2 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.8 | 172.9 | -62.2 | 173.4 | -179.1 | 174.5 | 0 | 112.5 | E158 L159 | E158-K161 WeakPolarHBondContact O-CB 3.46Å; E158-K161 PolarHBondContact O-N 3.29Å; E158-K161 IonicContact OE1-NZ 2.68Å; E158-K161 WeakPolarHBondContact OE2-CE 3.3Å; E158-K161 IonicContact OE2-NZ 3.99Å; E158-K161 PolarHBondContact OE2-NZ 2.8Å; L159-K161 PolarHBondContact O-N 2.73Å; L159-K161 VanDerWaalsContact O-N 3.1Å |
| 162 | Y | 98.7 | Very high | 97 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 28% | 0.282 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -24.5 | -170.4 | -51.2 | -69 | 0 | 0 | 0 | 113.1 | E158 L159 S160 K248 A251 K255 | E158-Y162 HydrophobicContact CG-CE2 4.18Å; E158-Y162 WeakPolarHBondContact O-CD2 3.42Å; E158-Y162 WeakPolarHBondContact O-CE2 3.28Å; E158-Y162 WeakPolarHBondContact OE1-CE2 3.27Å; E158-Y162 PolarHBondContact OE1-OH 3.46Å; L159-Y162 PolarHBondContact O-N 3.18Å; S160-Y162 PolarHBondContact O-N 3.12Å; Y162-K248 HydrophobicContact CD1-CB 4.1Å; Y162-K248 HydrophobicContact CD1-CD 4.29Å; Y162-K248 HydrophobicContact CD1-CG 3.79Å; Y162-K248 HydrophobicContact CD2-CB 3.9Å; Y162-K248 HydrophobicContact CD2-CG 4.46Å; Y162-K248 HydrophobicContact CE1-CB 3.99Å; Y162-K248 HydrophobicContact CE1-CD 3.89Å; Y162-K248 HydrophobicContact CE1-CG 3.83Å; Y162-K248 HydrophobicContact CE2-CB 3.8Å; Y162-K248 HydrophobicContact CG-CB 4.06Å; Y162-K248 HydrophobicContact CG-CG 4.12Å; Y162-A251 VanDerWaalsContact CB-CB 3.4Å; Y162-A251 HydrophobicContact CG-CB 4.44Å; Y162-K255 WeakPolarHBondContact O-CE 3.24Å; Y162-K255 PolarHBondContact O-NZ 2.85Å |
| 163 | I | 98.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -145.8 | 146.4 | 176.2 | -170.7 | 167.3 | 0 | 0 | 0 | 109.5 | A138 V139 L159 S160 V165 A251 L254 K255 | A138-I163 HydrophobicContact CB-CD1 3.99Å; A138-I163 HydrophobicContact CB-CG1 3.99Å; V139-I163 HydrophobicContact CG2-CD1 4.05Å; V139-I163 HydrophobicContact CG2-CG1 4.31Å; V139-I163 HydrophobicContact CG2-CG2 4.26Å; L159-I163 HydrophobicContact CD1-CG2 3.85Å; L159-I163 HydrophobicContact CG-CG2 3.88Å; L159-I163 PolarHBondContact O-N 2.91Å; S160-I163 WeakPolarHBondContact CA-O 3.14Å; I163-V165 HydrophobicContact CG2-CG2 4.42Å; I163-V165 PolarHBondContact O-N 2.98Å; I163-A251 HydrophobicContact CB-CB 4.12Å; I163-A251 HydrophobicContact CG2-CB 3.94Å; I163-L254 HydrophobicContact CD1-CB 3.63Å; I163-L254 HydrophobicContact CD1-CD1 4.31Å; I163-K255 HydrophobicContact CD1-CG 4.28Å |
| 164 | T | 98.4 | Very high | 96.8 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 60% | 0.595 | 30% | 0.302 | S | S | * | . | trans | -63.3 | 122.6 | 178.7 | -54 | 0 | 0 | 0 | 0 | 110.6 | V139 | V139-T164 WeakPolarHBondContact CB-O 3.2Å; V139-T164 PolarHBondContact N-O 3.5Å | ||
| 165 | V | 98.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 110.4 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | V139 W141 L159 I163 V167 L193 | V139-V165 HydrophobicContact CB-CG2 4.11Å; V139-V165 HydrophobicContact CG1-CG1 4.18Å; V139-V165 HydrophobicContact CG1-CG2 4.2Å; W141-V165 HydrophobicContact CB-CG1 4.23Å; L159-V165 HydrophobicContact CD2-CG2 4.31Å; L159-V165 HydrophobicContact CG-CG2 4.27Å; I163-V165 HydrophobicContact CG2-CG2 4.42Å; I163-V165 PolarHBondContact O-N 2.98Å; V165-V167 HydrophobicContact CG1-CG2 4.08Å; V165-L193 HydrophobicContact CG1-CD1 3.86Å |
| 166 | D | 98.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 20% | 0.198 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.6 | 176.6 | -71.4 | -21.4 | 0 | 0 | 0 | 109.9 | V139 W141 Y168 M174 Y189 | V139-D166 PolarHBondContact O-N 2.97Å; W141-D166 PolarHBondContact N-O 2.85Å; D166-Y168 HydrophobicContact CB-CE2 3.81Å; D166-M174 HydrophobicContact CB-SD 3.67Å; D166-Y189 HydrophobicContact CB-CE1 3.79Å; D166-Y189 VanDerWaalsContact CB-OH 3.27Å; D166-Y189 WeakPolarHBondContact CB-OH 3.27Å; D166-Y189 VanDerWaalsContact CG-OH 3.3Å; D166-Y189 VanDerWaalsContact OD2-CE1 3.27Å; D166-Y189 WeakPolarHBondContact OD2-CE1 3.01Å; D166-Y189 VanDerWaalsContact OD2-CZ 3.28Å; D166-Y189 PolarHBondContact OD2-OH 3.28Å |
| 167 | V | 98 | Very high | 96.2 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.3 | -174.4 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | W141 V143 V165 G172 M174 | W141-V167 HydrophobicContact CE3-CG1 3.98Å; W141-V167 HydrophobicContact CE3-CG2 4.1Å; W141-V167 WeakPolarHBondContact O-CA 3.33Å; V143-V167 HydrophobicContact CG1-CG1 3.61Å; V165-V167 HydrophobicContact CG1-CG2 4.08Å; V167-G172 WeakPolarHBondContact O-CA 3.48Å; V167-M174 WeakPolarHBondContact O-CB 3.48Å; V167-M174 PolarHBondContact O-N 2.82Å |
| 168 | Y | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 71 Ų | 71 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 150.7 | 178.4 | -64.9 | -97.2 | 0 | 0 | 0 | 111.8 | R137 W141 V143 D166 M174 C176 L184 Y189 | R137-Y168 PolarHBondContact NH1-OH 2.96Å; W141-Y168 PolarHBondContact O-N 3.16Å; V143-Y168 PolarHBondContact N-O 2.77Å; D166-Y168 HydrophobicContact CB-CE2 3.81Å; Y168-M174 WeakPolarHBondContact CA-O 3.37Å; Y168-M174 HydrophobicContact CD1-CB 3.47Å; Y168-M174 VanDerWaalsContact CD1-CB 3.47Å; Y168-M174 HydrophobicContact CD2-CB 4.46Å; Y168-M174 HydrophobicContact CE1-CB 3.59Å; Y168-M174 HydrophobicContact CE1-CE 3.87Å; Y168-M174 HydrophobicContact CE1-CG 4.47Å; Y168-M174 HydrophobicContact CE1-SD 4.18Å; Y168-M174 HydrophobicContact CE2-CE 4.32Å; Y168-M174 HydrophobicContact CE2-SD 4Å; Y168-M174 HydrophobicContact CG-CB 3.94Å; Y168-M174 WeakPolarHBondContact OH-CE 3.44Å; Y168-C176 HydrophobicContact CD1-CB 3.92Å; Y168-C176 HydrophobicContact CE1-CB 4.43Å; Y168-L184 HydrophobicContact CE1-CD1 4.05Å; Y168-L184 HydrophobicContact CE1-CD2 4.19Å; Y168-L184 HydrophobicContact CE2-CD2 3.87Å; Y168-Y189 HydrophobicContact CE2-CE2 4.45Å; Y168-Y189 PolarHBondContact OH-OH 3.42Å |
| 169 | G | 95.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 73.6 Ų | 73.6 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 96.8 | -165.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V143 C171 G172 M174 | V143-G169 CarbonylContact O-C 3.53Å; G169-C171 PolarHBondContact O-N 3.27Å; G169-C171 VanDerWaalsContact O-N 3.09Å; G169-G172 PolarHBondContact O-N 3.15Å; G169-G172 VanDerWaalsContact O-N 3.09Å; G169-M174 PolarHBondContact N-O 3.07Å |
| 170 | R | 94.3 | Very high | 95.3 | Very high | 218 Ų | 218 | 79.7 Ų | 79.7 | 82% | 0.823 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.3 | -168.7 | -71 | -175.8 | 178 | 167.9 | -0.8 | 114.8 | V143 | V143-R170 PolarHBondContact O-N 3.1Å; V143-R170 VanDerWaalsContact O-N 3.15Å |
| 171 | C | 94.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -2.5 | -177.5 | -36.1 | 0 | 0 | 0 | 0 | 112.8 | V143 C146 G169 | V143-C171 HydrophobicContact CG1-CB 3.84Å; V143-C171 HydrophobicContact CG2-CB 4.39Å; V143-C171 PolarHBondContact O-N 3.36Å; C146-C171 WeakPolarHBondContact CA-SG 3.47Å; C146-C171 HydrophobicContact CB-CB 3.86Å; C146-C171 WeakPolarHBondContact CB-SG 3.39Å; C146-C171 PolarHBondContact N-SG 2.82Å; C146-C171 WeakPolarHBondContact SG-CA 3.22Å; C146-C171 WeakPolarHBondContact SG-CB 3.14Å; C146-C171 CovalentContact SG-SG 2.04Å; C146-C171 PolarHBondContact SG-SG 2.69Å; G169-C171 PolarHBondContact O-N 3.27Å; G169-C171 VanDerWaalsContact O-N 3.09Å |
| 172 | G | 92 | Very high | 95.1 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -112.8 | 179.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V167 G169 | V167-G172 WeakPolarHBondContact O-CA 3.48Å; G169-G172 PolarHBondContact O-N 3.15Å; G169-G172 VanDerWaalsContact O-N 3.09Å |
| 173 | R | 92.3 | Very high | 95 | Very high | 249 Ų | 249 | 72 Ų | 72 | 94% | 0.94 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -92.7 | -16.5 | 174.2 | -65 | -177.8 | 179.8 | 177.5 | -0.1 | 112.7 | ||
| 174 | M | 95.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 73.2 Ų | 73.2 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -96.5 | 148.5 | -176.4 | -52.9 | -179.7 | 79.3 | 0 | 0 | 110.8 | D166 V167 Y168 G169 | D166-M174 HydrophobicContact CB-SD 3.67Å; V167-M174 WeakPolarHBondContact O-CB 3.48Å; V167-M174 PolarHBondContact O-N 2.82Å; Y168-M174 WeakPolarHBondContact CA-O 3.37Å; Y168-M174 HydrophobicContact CD1-CB 3.47Å; Y168-M174 VanDerWaalsContact CD1-CB 3.47Å; Y168-M174 HydrophobicContact CD2-CB 4.46Å; Y168-M174 HydrophobicContact CE1-CB 3.59Å; Y168-M174 HydrophobicContact CE1-CE 3.87Å; Y168-M174 HydrophobicContact CE1-CG 4.47Å; Y168-M174 HydrophobicContact CE1-SD 4.18Å; Y168-M174 HydrophobicContact CE2-CE 4.32Å; Y168-M174 HydrophobicContact CE2-SD 4Å; Y168-M174 HydrophobicContact CG-CB 3.94Å; Y168-M174 WeakPolarHBondContact OH-CE 3.44Å; G169-M174 PolarHBondContact N-O 3.07Å |
| 175 | T | 93.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 63% | 0.632 | 36% | 0.359 | S | S | * | . | trans | -119.7 | 138 | -179.4 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | C | 94.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 72.1 Ų | 72.1 | 14% | 0.142 | 37% | 0.373 | C | S | . | . | trans | -150.4 | 161.1 | 166.7 | 65.6 | 0 | 0 | 0 | 0 | 107.5 | Y168 C181 | Y168-C176 HydrophobicContact CD1-CB 3.92Å; Y168-C176 HydrophobicContact CE1-CB 4.43Å; C176-C181 HydrophobicContact CB-CB 3.95Å; C176-C181 WeakPolarHBondContact CB-SG 3.13Å; C176-C181 PolarHBondContact O-SG 3.02Å; C176-C181 VanDerWaalsContact O-SG 3.37Å; C176-C181 VanDerWaalsContact SG-CA 3.55Å; C176-C181 WeakPolarHBondContact SG-CB 3.34Å; C176-C181 CovalentContact SG-SG 2.03Å; C176-C181 PolarHBondContact SG-SG 3.16Å | ||
| 177 | Y | 90.7 | Very high | 94.8 | Very high | 169 Ų | 169 | 78.2 Ų | 78.2 | 66% | 0.663 | 39% | 0.393 | S | S | * | . | trans | -131.5 | 133.5 | -175.5 | -60.2 | -80.5 | 0 | 0 | 0 | 112.1 | S179 Q180 C181 | Y177-S179 PolarHBondContact O-N 3.45Å; Y177-Q180 WeakPolarHBondContact O-CB 3.32Å; Y177-Q180 PolarHBondContact O-N 3.3Å; Y177-Q180 VanDerWaalsContact O-N 3.12Å; Y177-C181 PolarHBondContact N-SG 3.14Å; Y177-C181 VanDerWaalsContact N-SG 3.39Å | ||
| 178 | G | 88 | Confident | 94.8 | Very high | 64 Ų | 64 | 79.4 Ų | 79.4 | 66% | 0.66 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | -132.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q180 C181 | G178-Q180 PolarHBondContact O-N 2.8Å; G178-C181 WeakPolarHBondContact O-CB 3.19Å; G178-C181 PolarHBondContact O-N 3.01Å |
| 179 | S | 91.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 79 Ų | 79 | 58% | 0.58 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63 | -25.9 | -179.8 | 54 | 0 | 0 | 0 | 0 | 113.8 | Y177 C181 L182 D183 | Y177-S179 PolarHBondContact O-N 3.45Å; S179-C181 PolarHBondContact O-N 2.89Å; S179-L182 WeakPolarHBondContact O-CB 3.44Å; S179-L182 PolarHBondContact O-N 2.95Å; S179-D183 PolarHBondContact O-N 3.3Å |
| 180 | Q | 93.8 | Very high | 95 | Very high | 127 Ų | 127 | 78.2 Ų | 78.2 | 59% | 0.593 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.8 | -31.8 | 179.1 | -59.3 | 177.3 | 2.1 | 0 | 0 | 111.9 | Y177 G178 L182 L184 | Y177-Q180 WeakPolarHBondContact O-CB 3.32Å; Y177-Q180 PolarHBondContact O-N 3.3Å; Y177-Q180 VanDerWaalsContact O-N 3.12Å; G178-Q180 PolarHBondContact O-N 2.8Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L184 VanDerWaalsContact O-CB 3.25Å; Q180-L184 WeakPolarHBondContact O-CB 3.32Å; Q180-L184 PolarHBondContact O-N 3.04Å |
| 181 | C | 96.2 | Very high | 95.2 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 172.9 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | I142 C176 Y177 G178 S179 L184 V185 | I142-C181 HydrophobicContact CD1-CB 3.67Å; C176-C181 HydrophobicContact CB-CB 3.95Å; C176-C181 WeakPolarHBondContact CB-SG 3.13Å; C176-C181 PolarHBondContact O-SG 3.02Å; C176-C181 VanDerWaalsContact O-SG 3.37Å; C176-C181 VanDerWaalsContact SG-CA 3.55Å; C176-C181 WeakPolarHBondContact SG-CB 3.34Å; C176-C181 CovalentContact SG-SG 2.03Å; C176-C181 PolarHBondContact SG-SG 3.16Å; Y177-C181 PolarHBondContact N-SG 3.14Å; Y177-C181 VanDerWaalsContact N-SG 3.39Å; G178-C181 WeakPolarHBondContact O-CB 3.19Å; G178-C181 PolarHBondContact O-N 3.01Å; S179-C181 PolarHBondContact O-N 2.89Å; C181-L184 PolarHBondContact O-N 3.07Å; C181-V185 WeakPolarHBondContact O-CG2 3.39Å; C181-V185 PolarHBondContact O-N 2.67Å |
| 182 | L | 96.5 | Very high | 95.5 | Very high | 31 Ų | 31 | 65.7 Ų | 65.7 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.9 | -41.3 | -177.7 | -60.8 | -174.4 | 0 | 0 | 0 | 111.1 | S179 Q180 L184 V185 K186 L210 N211 N215 | S179-L182 WeakPolarHBondContact O-CB 3.44Å; S179-L182 PolarHBondContact O-N 2.95Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; L182-L184 VanDerWaalsContact C-N 3.29Å; L182-L184 PolarHBondContact O-N 3.1Å; L182-V185 PolarHBondContact O-N 2.83Å; L182-K186 WeakPolarHBondContact O-CB 3.32Å; L182-K186 PolarHBondContact O-N 3.01Å; L182-L210 HydrophobicContact CD1-CD1 4.2Å; L182-L210 HydrophobicContact CD1-CD2 4.22Å; L182-L210 HydrophobicContact CD1-CG 4.03Å; L182-N211 HydrophobicContact CD2-CB 4.1Å; L182-N215 PolarHBondContact O-OD1 3.23Å |
| 183 | D | 96.9 | Very high | 95.8 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 173.4 | -75.9 | -34.7 | 0 | 0 | 0 | 112.1 | S179 K186 R187 | S179-D183 PolarHBondContact O-N 3.3Å; D183-K186 PolarHBondContact O-N 3.49Å; D183-R187 WeakPolarHBondContact O-CB 3.32Å; D183-R187 VanDerWaalsContact O-CG 3.27Å; D183-R187 WeakPolarHBondContact O-CG 3.36Å; D183-R187 PolarHBondContact O-N 2.89Å |
| 184 | L | 97.3 | Very high | 96.1 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.7 | 172.4 | 147.5 | 0 | 0 | 0 | 111.4 | Y168 Q180 C181 L182 R187 H188 Y189 | Y168-L184 HydrophobicContact CE1-CD1 4.05Å; Y168-L184 HydrophobicContact CE1-CD2 4.19Å; Y168-L184 HydrophobicContact CE2-CD2 3.87Å; Q180-L184 VanDerWaalsContact O-CB 3.25Å; Q180-L184 WeakPolarHBondContact O-CB 3.32Å; Q180-L184 PolarHBondContact O-N 3.04Å; C181-L184 PolarHBondContact O-N 3.07Å; L182-L184 VanDerWaalsContact C-N 3.29Å; L182-L184 PolarHBondContact O-N 3.1Å; L184-R187 PolarHBondContact O-N 3.21Å; L184-H188 WeakPolarHBondContact O-CB 3.34Å; L184-H188 PolarHBondContact O-N 2.7Å; L184-Y189 HydrophobicContact CD2-CD2 3.95Å; L184-Y189 HydrophobicContact CD2-CE2 3.32Å; L184-Y189 HydrophobicContact CG-CE2 4.08Å |
| 185 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | A140 I142 C181 L182 R187 Y189 Y192 A217 | A140-V185 HydrophobicContact CB-CG2 3.96Å; I142-V185 HydrophobicContact CD1-CG2 3.92Å; C181-V185 WeakPolarHBondContact O-CG2 3.39Å; C181-V185 PolarHBondContact O-N 2.67Å; L182-V185 PolarHBondContact O-N 2.83Å; V185-R187 VanDerWaalsContact C-N 3.35Å; V185-R187 PolarHBondContact O-N 3.08Å; V185-Y189 PolarHBondContact O-N 2.96Å; V185-Y189 VanDerWaalsContact O-N 3.08Å; V185-Y192 HydrophobicContact CG1-CD2 3.89Å; V185-Y192 HydrophobicContact CG1-CG 4.47Å; V185-Y192 HydrophobicContact CG2-CD2 3.83Å; V185-Y192 HydrophobicContact CG2-CE2 4.04Å; V185-A217 HydrophobicContact CG1-CB 3.62Å |
| 186 | K | 97.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 44.7 Ų | 44.7 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.2 | -43.3 | -178.5 | -177.1 | 176.9 | 178.6 | 175.8 | 0 | 113.3 | K135 L182 D183 N215 N216 | K135-K186 PolarHBondContact NZ-O 3.44Å; L182-K186 WeakPolarHBondContact O-CB 3.32Å; L182-K186 PolarHBondContact O-N 3.01Å; D183-K186 PolarHBondContact O-N 3.49Å; K186-N215 WeakPolarHBondContact CA-O 3.31Å; K186-N215 HydrophobicContact CB-CB 4.11Å; K186-N215 WeakPolarHBondContact CB-O 3.03Å; K186-N216 HydrophobicContact CG-CB 4.45Å |
| 187 | R | 96.9 | Very high | 96.6 | Very high | 165 Ų | 165 | 44.4 Ų | 44.4 | 62% | 0.623 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -82.1 | -37.8 | -174.5 | -68.1 | 175.3 | -171.7 | -154 | 3 | 113.5 | D183 L184 V185 | D183-R187 WeakPolarHBondContact O-CB 3.32Å; D183-R187 VanDerWaalsContact O-CG 3.27Å; D183-R187 WeakPolarHBondContact O-CG 3.36Å; D183-R187 PolarHBondContact O-N 2.89Å; L184-R187 PolarHBondContact O-N 3.21Å; V185-R187 VanDerWaalsContact C-N 3.35Å; V185-R187 PolarHBondContact O-N 3.08Å |
| 188 | H | 98.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 27% | 0.269 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -110.9 | -27.6 | -165.2 | -66.6 | -71.7 | 0 | 0 | 0 | 114.7 | K135 D136 R137 L184 | K135-H188 CarbonylContact C-O 3.57Å; K135-H188 WeakPolarHBondContact CA-O 3.19Å; D136-H188 PolarHBondContact N-O 3.35Å; D136-H188 WeakPolarHBondContact OD1-CB 3.47Å; D136-H188 IonicContact OD1-CE1 3.98Å; D136-H188 IonicContact OD1-CG 2.81Å; D136-H188 IonicContact OD1-ND1 3.76Å; D136-H188 PolarHBondContact OD1-ND1 2.69Å; D136-H188 IonicContact OD2-ND1 3.61Å; R137-H188 WeakPolarHBondContact CA-O 3.42Å; R137-H188 WeakPolarHBondContact CB-O 3.11Å; R137-H188 HydrophobicContact CG-CB 4.27Å; R137-H188 PolarHBondContact N-O 3.04Å; L184-H188 WeakPolarHBondContact O-CB 3.34Å; L184-H188 PolarHBondContact O-N 2.7Å |
| 189 | Y | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.4 | -167.1 | -68 | -92.3 | 0 | 0 | 0 | 113 | K135 R137 V139 A140 D166 Y168 L184 V185 | K135-Y189 VanDerWaalsContact CD-O 3.32Å; K135-Y189 WeakPolarHBondContact CD-O 3.31Å; K135-Y189 WeakPolarHBondContact CE-O 3.46Å; K135-Y189 PolarHBondContact NZ-O 3.12Å; R137-Y189 HydrophobicContact CB-CD1 3.53Å; R137-Y189 HydrophobicContact CB-CD2 4.44Å; R137-Y189 HydrophobicContact CB-CE1 3.45Å; R137-Y189 VanDerWaalsContact CB-CE1 3.45Å; R137-Y189 HydrophobicContact CB-CE2 4.34Å; R137-Y189 HydrophobicContact CB-CG 4.08Å; R137-Y189 WeakPolarHBondContact CD-OH 3.22Å; R137-Y189 HydrophobicContact CG-CE1 4.26Å; R137-Y189 PolarHBondContact NH1-OH 3.29Å; R137-Y189 WeakPolarHBondContact O-CA 3.35Å; V139-Y189 VanDerWaalsContact C-CD1 3.4Å; V139-Y189 WeakPolarHBondContact O-CE1 3.11Å; A140-Y189 HydrophobicContact CB-CD1 3.49Å; A140-Y189 VanDerWaalsContact CB-CD1 3.49Å; A140-Y189 HydrophobicContact CB-CD2 3.88Å; A140-Y189 HydrophobicContact CB-CE1 3.79Å; A140-Y189 HydrophobicContact CB-CE2 4.18Å; A140-Y189 HydrophobicContact CB-CG 3.5Å; A140-Y189 VanDerWaalsContact N-CD1 3.3Å; D166-Y189 HydrophobicContact CB-CE1 3.79Å; D166-Y189 VanDerWaalsContact CB-OH 3.27Å; D166-Y189 WeakPolarHBondContact CB-OH 3.27Å; D166-Y189 VanDerWaalsContact CG-OH 3.3Å; D166-Y189 VanDerWaalsContact OD2-CE1 3.27Å; D166-Y189 WeakPolarHBondContact OD2-CE1 3.01Å; D166-Y189 VanDerWaalsContact OD2-CZ 3.28Å; D166-Y189 PolarHBondContact OD2-OH 3.28Å; Y168-Y189 HydrophobicContact CE2-CE2 4.45Å; Y168-Y189 PolarHBondContact OH-OH 3.42Å; L184-Y189 HydrophobicContact CD2-CD2 3.95Å; L184-Y189 HydrophobicContact CD2-CE2 3.32Å; L184-Y189 HydrophobicContact CG-CE2 4.08Å; V185-Y189 PolarHBondContact O-N 2.96Å; V185-Y189 VanDerWaalsContact O-N 3.08Å |
| 190 | K | 98.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -41.3 | 171.2 | -70.7 | -165.4 | -178.1 | -171.9 | 0 | 112 | K135 R137 A138 L218 D258 D261 Y264 | K135-K190 HydrophobicContact CB-CG 3.88Å; K135-K190 HydrophobicContact CD-CG 3.95Å; R137-K190 PolarHBondContact O-N 3.21Å; R137-K190 VanDerWaalsContact O-N 3.08Å; A138-K190 PolarHBondContact O-N 3.09Å; K190-L218 PolarHBondContact O-N 2.77Å; K190-D258 WeakPolarHBondContact CD-OD1 3.46Å; K190-D258 PolarHBondContact NZ-O 2.93Å; K190-D258 IonicContact NZ-OD1 3.46Å; K190-D261 IonicContact NZ-OD1 3.9Å; K190-D261 PolarHBondContact NZ-OD1 3.28Å; K190-Y264 HydrophobicContact CB-CD2 4.33Å; K190-Y264 HydrophobicContact CB-CE2 3.65Å; K190-Y264 HydrophobicContact CD-CD2 4.34Å; K190-Y264 HydrophobicContact CD-CE2 4.37Å; K190-Y264 HydrophobicContact CG-CE2 4.17Å; K190-Y264 WeakPolarHBondContact O-CE2 3.07Å; K190-Y264 PolarHBondContact O-OH 2.94Å |
| 191 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.2 | -175 | -44.1 | -71.8 | 0 | 0 | 0 | 111.2 | A138 V139 A140 L218 I220 L254 L257 D258 Y264 | A138-F191 VanDerWaalsContact O-CD2 3.29Å; A138-F191 WeakPolarHBondContact O-CD2 3.31Å; A138-F191 PolarHBondContact O-N 3.17Å; V139-F191 WeakPolarHBondContact CA-O 3.04Å; V139-F191 HydrophobicContact CG2-CB 4.12Å; V139-F191 HydrophobicContact CG2-CD2 4.06Å; A140-F191 PolarHBondContact N-O 3.08Å; F191-L218 WeakPolarHBondContact CA-O 2.98Å; F191-L218 HydrophobicContact CD1-CB 4.03Å; F191-L218 HydrophobicContact CD1-CD2 4.14Å; F191-L218 HydrophobicContact CD1-CG 4.31Å; F191-L218 HydrophobicContact CE1-CD2 4.07Å; F191-I220 HydrophobicContact CB-CD1 4.33Å; F191-I220 HydrophobicContact CB-CG1 4.07Å; F191-I220 HydrophobicContact CD1-CD1 4.23Å; F191-L254 HydrophobicContact CD1-CD2 3.88Å; F191-L254 HydrophobicContact CD2-CB 4.41Å; F191-L254 HydrophobicContact CD2-CD2 4.49Å; F191-L254 HydrophobicContact CE1-CD2 3.94Å; F191-L254 HydrophobicContact CE2-CB 4.1Å; F191-L254 HydrophobicContact CG-CD2 4.18Å; F191-L254 HydrophobicContact CZ-CB 4.3Å; F191-L254 HydrophobicContact CZ-CD2 4.3Å; F191-L254 WeakPolarHBondContact CZ-O 3.05Å; F191-L257 HydrophobicContact CE1-CB 4.02Å; F191-L257 HydrophobicContact CE1-CD1 4.12Å; F191-L257 HydrophobicContact CZ-CB 3.8Å; F191-D258 HydrophobicContact CE2-CB 4.18Å; F191-D258 HydrophobicContact CZ-CB 4.4Å; F191-Y264 HydrophobicContact CD1-CE2 4.35Å; F191-Y264 AromaticContact CE1-CD2 3.92Å; F191-Y264 HydrophobicContact CE1-CD2 3.92Å; F191-Y264 AromaticContact CE1-CE2 3.97Å; F191-Y264 HydrophobicContact CE1-CE2 3.97Å; F191-Y264 HydrophobicContact CZ-CD2 4.33Å |
| 192 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130 | 174.1 | -177.5 | -88.7 | 0 | 0 | 0 | 110.2 | A140 I142 V185 S194 K207 N211 A212 L218 I220 | A140-Y192 HydrophobicContact CB-CD2 4.13Å; A140-Y192 WeakPolarHBondContact O-CA 3.5Å; I142-Y192 HydrophobicContact CB-CE2 4.33Å; I142-Y192 HydrophobicContact CD1-CE2 3.85Å; I142-Y192 HydrophobicContact CG1-CE2 4Å; V185-Y192 HydrophobicContact CG1-CD2 3.89Å; V185-Y192 HydrophobicContact CG1-CG 4.47Å; V185-Y192 HydrophobicContact CG2-CD2 3.83Å; V185-Y192 HydrophobicContact CG2-CE2 4.04Å; Y192-S194 WeakPolarHBondContact CD1-OG 3.25Å; Y192-S194 PolarHBondContact O-N 3.48Å; Y192-S194 VanDerWaalsContact O-N 3.11Å; Y192-K207 WeakPolarHBondContact CE1-O 3.28Å; Y192-N211 HydrophobicContact CD1-CB 4.22Å; Y192-N211 HydrophobicContact CE1-CB 3.57Å; Y192-N211 HydrophobicContact CE2-CB 4.05Å; Y192-N211 VanDerWaalsContact CZ-CB 3.47Å; Y192-N211 PolarHBondContact OH-ND2 3.37Å; Y192-A212 HydrophobicContact CD1-CB 3.87Å; Y192-A212 HydrophobicContact CG-CB 4.16Å; Y192-L218 PolarHBondContact N-O 3.17Å; Y192-I220 PolarHBondContact O-N 3.22Å |
| 193 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 97.3 | 174.1 | -60 | -169.7 | 0 | 0 | 0 | 110.2 | V139 A140 W141 A156 L159 V165 F195 I220 | V139-L193 HydrophobicContact CG1-CD1 4.21Å; V139-L193 HydrophobicContact CG1-CD2 3.57Å; V139-L193 HydrophobicContact CG1-CG 3.53Å; A140-L193 PolarHBondContact O-N 3Å; W141-L193 HydrophobicContact CB-CB 3.94Å; W141-L193 HydrophobicContact CB-CD1 3.95Å; W141-L193 HydrophobicContact CB-CG 4.12Å; W141-L193 VanDerWaalsContact CD1-O 3.26Å; W141-L193 HydrophobicContact CD2-CB 4.44Å; W141-L193 HydrophobicContact CD2-CD1 4.08Å; W141-L193 HydrophobicContact CE3-CD1 4.33Å; W141-L193 HydrophobicContact CG-CB 3.73Å; W141-L193 HydrophobicContact CG-CD1 3.94Å; W141-L193 HydrophobicContact CG-CG 4.26Å; A156-L193 HydrophobicContact CB-CD1 4.12Å; L159-L193 HydrophobicContact CD2-CD1 4.39Å; L159-L193 HydrophobicContact CD2-CD2 3.98Å; V165-L193 HydrophobicContact CG1-CD1 3.86Å; L193-F195 HydrophobicContact CB-CD1 4.23Å; L193-F195 HydrophobicContact CB-CD2 4.32Å; L193-F195 HydrophobicContact CB-CE1 4.36Å; L193-F195 HydrophobicContact CB-CE2 4.47Å; L193-F195 HydrophobicContact CB-CG 4.23Å; L193-F195 HydrophobicContact CB-CZ 4.49Å; L193-F195 HydrophobicContact CD1-CD2 4.22Å; L193-F195 HydrophobicContact CD1-CE2 3.83Å; L193-F195 HydrophobicContact CD1-CZ 4.16Å; L193-F195 HydrophobicContact CD2-CE1 4.02Å; L193-F195 HydrophobicContact CD2-CE2 4.34Å; L193-F195 HydrophobicContact CD2-CZ 3.83Å; L193-F195 HydrophobicContact CG-CE2 4.44Å; L193-F195 HydrophobicContact CG-CZ 4.38Å; L193-F195 PolarHBondContact O-N 3Å; L193-F195 VanDerWaalsContact O-N 3.08Å; L193-I220 HydrophobicContact CD2-CB 3.8Å; L193-I220 HydrophobicContact CD2-CG1 4.17Å; L193-I220 HydrophobicContact CD2-CG2 4.09Å |
| 194 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 50.9 | 173.1 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | Y192 K207 P219 I220 | Y192-S194 WeakPolarHBondContact CD1-OG 3.25Å; Y192-S194 PolarHBondContact O-N 3.48Å; Y192-S194 VanDerWaalsContact O-N 3.11Å; S194-K207 WeakPolarHBondContact CB-O 2.95Å; S194-K207 PolarHBondContact OG-O 2.93Å; S194-P219 WeakPolarHBondContact OG-CB 3.21Å; S194-I220 PolarHBondContact N-O 3.26Å |
| 195 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121 | -176 | -68.9 | -3.8 | 0 | 0 | 0 | 112.5 | W141 R152 Y155 A156 L193 I220 M222 V241 | W141-F195 HydrophobicContact CZ2-CD2 4.43Å; R152-F195 HydrophobicContact CB-CB 3.72Å; R152-F195 HydrophobicContact CB-CD2 3.84Å; R152-F195 HydrophobicContact CB-CG 4.17Å; R152-F195 HydrophobicContact CG-CB 4.5Å; R152-F195 PolarHBondContact NH1-O 3.07Å; R152-F195 VanDerWaalsContact NH1-O 3.16Å; Y155-F195 AromaticContact CD1-CE2 3.89Å; Y155-F195 HydrophobicContact CD1-CE2 3.89Å; Y155-F195 AromaticContact CD1-CZ 3.76Å; Y155-F195 HydrophobicContact CD1-CZ 3.76Å; Y155-F195 HydrophobicContact CE1-CZ 4.14Å; Y155-F195 HydrophobicContact CG-CE2 4.45Å; A156-F195 HydrophobicContact CB-CE2 4.21Å; L193-F195 HydrophobicContact CB-CD1 4.23Å; L193-F195 HydrophobicContact CB-CD2 4.32Å; L193-F195 HydrophobicContact CB-CE1 4.36Å; L193-F195 HydrophobicContact CB-CE2 4.47Å; L193-F195 HydrophobicContact CB-CG 4.23Å; L193-F195 HydrophobicContact CB-CZ 4.49Å; L193-F195 HydrophobicContact CD1-CD2 4.22Å; L193-F195 HydrophobicContact CD1-CE2 3.83Å; L193-F195 HydrophobicContact CD1-CZ 4.16Å; L193-F195 HydrophobicContact CD2-CE1 4.02Å; L193-F195 HydrophobicContact CD2-CE2 4.34Å; L193-F195 HydrophobicContact CD2-CZ 3.83Å; L193-F195 HydrophobicContact CG-CE2 4.44Å; L193-F195 HydrophobicContact CG-CZ 4.38Å; L193-F195 PolarHBondContact O-N 3Å; L193-F195 VanDerWaalsContact O-N 3.08Å; F195-I220 WeakPolarHBondContact CD1-O 3.46Å; F195-I220 HydrophobicContact CE1-CG2 4.1Å; F195-M222 HydrophobicContact CB-CB 4.35Å; F195-M222 HydrophobicContact CD1-CB 3.47Å; F195-M222 VanDerWaalsContact CD1-CB 3.47Å; F195-M222 HydrophobicContact CD2-CE 4.32Å; F195-M222 HydrophobicContact CD2-SD 4.47Å; F195-M222 HydrophobicContact CE1-CB 3.85Å; F195-M222 HydrophobicContact CE1-CE 4.45Å; F195-M222 HydrophobicContact CE2-CE 4.07Å; F195-M222 HydrophobicContact CG-CB 3.95Å; F195-M222 HydrophobicContact CG-SD 4.44Å; F195-M222 HydrophobicContact CZ-CE 4.14Å; F195-V241 HydrophobicContact CE1-CG1 3.81Å; F195-V241 HydrophobicContact CZ-CG1 3.99Å |
| 196 | E | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -78.4 | 153.6 | -174 | -65.5 | -61.9 | 174.6 | 0 | 0 | 114 | S150 R152 S198 Y203 T205 K207 M222 | S150-E196 WeakPolarHBondContact CB-O 3.49Å; S150-E196 PolarHBondContact OG-O 2.79Å; R152-E196 WeakPolarHBondContact CD-O 3.47Å; E196-S198 PolarHBondContact O-N 3.04Å; E196-Y203 HydrophobicContact CB-CD1 4.07Å; E196-Y203 HydrophobicContact CB-CE1 4.15Å; E196-Y203 HydrophobicContact CG-CD1 4.32Å; E196-T205 WeakPolarHBondContact OE1-CB 3.12Å; E196-T205 WeakPolarHBondContact OE1-CG2 3.34Å; E196-T205 PolarHBondContact OE1-N 2.04Å; E196-T205 PolarHBondContact OE1-OG1 3.45Å; E196-T205 WeakPolarHBondContact OE2-CG2 3.36Å; E196-T205 PolarHBondContact OE2-OG1 3.07Å; E196-K207 IonicContact OE2-NZ 3.53Å; E196-M222 WeakPolarHBondContact CB-O 3.32Å; E196-M222 PolarHBondContact N-O 3.33Å | ||
| 197 | N | 97 | Very high | 98 | Very high | 15 Ų | 15 | 18.7 Ų | 18.7 | 8% | 0.08 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -62.6 | -27.3 | 179.4 | -70.6 | -44.9 | 0 | 0 | 0 | 112.6 | N145 K149 S150 R152 Y203 | N145-N197 PolarHBondContact ND2-OD1 3.08Å; N145-N197 VanDerWaalsContact ND2-OD1 3.1Å; K149-N197 CarbonylContact C-O 3.56Å; K149-N197 PolarHBondContact N-O 3.27Å; S150-N197 PolarHBondContact N-O 3.43Å; S150-N197 PolarHBondContact OG-O 3.1Å; R152-N197 PolarHBondContact NH1-OD1 2.86Å; R152-N197 PolarHBondContact NH2-OD1 3.11Å; N197-Y203 HydrophobicContact CB-CE1 4.39Å |
| 198 | S | 97.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -145.3 | 146.4 | -176.8 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | S77 H80 E196 C200 | S77-S198 VanDerWaalsContact OG-CB 3.32Å; S77-S198 WeakPolarHBondContact OG-CB 3.39Å; S77-S198 PolarHBondContact OG-OG 3.03Å; H80-S198 PolarHBondContact CD2-OG 2.89Å; E196-S198 PolarHBondContact O-N 3.04Å; S198-C200 VanDerWaalsContact C-N 3.3Å; S198-C200 WeakPolarHBondContact CB-SG 3.32Å; S198-C200 PolarHBondContact O-N 2.98Å; S198-C200 VanDerWaalsContact O-N 3.12Å |
| 199 | L | 97.2 | Very high | 98.1 | Very high | 17 Ų | 17 | 8.1 Ų | 8.1 | 9% | 0.089 | 4% | 0.039 | C | C | . | . | trans | -83.6 | 75.1 | 169.6 | -53.5 | -176.5 | 0 | 0 | 0 | 108.9 | P151 M222 R316 L318 | P151-L199 HydrophobicContact CG-CD1 4.34Å; L199-M222 HydrophobicContact CD2-CG 3.83Å; L199-R316 HydrophobicContact CB-CB 4.1Å; L199-R316 VanDerWaalsContact O-CB 3.24Å; L199-R316 WeakPolarHBondContact O-CB 3.05Å; L199-R316 VanDerWaalsContact O-CD 3.26Å; L199-R316 WeakPolarHBondContact O-CD 3.26Å; L199-L318 HydrophobicContact CD1-CD2 3.95Å; L199-L318 HydrophobicContact CD1-CG 3.88Å; L199-L318 HydrophobicContact CD2-CD2 4.03Å | ||
| 200 | C | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -114.7 | 146 | -178.7 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | S198 D202 Y203 G312 C313 | S198-C200 VanDerWaalsContact C-N 3.3Å; S198-C200 WeakPolarHBondContact CB-SG 3.32Å; S198-C200 PolarHBondContact O-N 2.98Å; S198-C200 VanDerWaalsContact O-N 3.12Å; C200-D202 PolarHBondContact O-N 3.37Å; C200-Y203 PolarHBondContact O-N 3.47Å; C200-G312 CarbonylContact C-O 3.56Å; C200-G312 WeakPolarHBondContact CA-O 3.24Å; C200-C313 HydrophobicContact CB-CB 4.09Å; C200-C313 WeakPolarHBondContact CB-SG 3.28Å; C200-C313 WeakPolarHBondContact SG-CB 3.39Å; C200-C313 CovalentContact SG-SG 2.03Å; C200-C313 PolarHBondContact SG-SG 3.08Å | ||
| 201 | Q | 97.5 | Very high | 98 | Very high | 50 Ų | 50 | 10.4 Ų | 10.4 | 23% | 0.234 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | 127.6 | 172.5 | -168 | -162.3 | -44.5 | 0 | 0 | 110 | Y97 Y203 E228 G312 | Y97-Q201 VanDerWaalsContact CE2-O 3.28Å; Y97-Q201 WeakPolarHBondContact CE2-O 3.24Å; Q201-Y203 PolarHBondContact O-N 3.31Å; Q201-E228 WeakPolarHBondContact CA-OE1 3.44Å; Q201-E228 WeakPolarHBondContact CG-OE1 3.29Å; Q201-G312 VanDerWaalsContact CB-O 3.31Å; Q201-G312 WeakPolarHBondContact CB-O 3.07Å; Q201-G312 PolarHBondContact N-O 3.15Å |
| 202 | D | 97.6 | Very high | 98 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 3% | 0.032 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 2.4 | 175.6 | -50.1 | -40.1 | 0 | 0 | 0 | 116.7 | Y97 F99 C200 I204 | Y97-D202 HydrophobicContact CD2-CB 4.24Å; Y97-D202 WeakPolarHBondContact CD2-O 3.46Å; F99-D202 HydrophobicContact CD2-CB 4.07Å; F99-D202 VanDerWaalsContact CD2-CG 3.48Å; F99-D202 WeakPolarHBondContact CD2-OD1 3.45Å; F99-D202 PolarHBondContact N-OD2 3.29Å; C200-D202 PolarHBondContact O-N 3.37Å; D202-I204 PolarHBondContact O-N 2.87Å; D202-I204 VanDerWaalsContact O-N 3.08Å |
| 203 | Y | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -79.3 | 95.6 | -178.6 | -176.2 | -110.9 | 0 | 0 | 0 | 110.3 | E76 S77 Y97 Y107 E196 N197 C200 Q201 T205 | E76-Y203 PolarHBondContact OE2-OH 3.34Å; S77-Y203 VanDerWaalsContact N-CE2 3.34Å; Y97-Y203 AromaticContact CD1-CD2 3.76Å; Y97-Y203 HydrophobicContact CD1-CD2 3.76Å; Y97-Y203 HydrophobicContact CD1-CE2 4.39Å; Y97-Y203 HydrophobicContact CD2-CD2 4.33Å; Y97-Y203 AromaticContact CE1-CD2 3.44Å; Y97-Y203 HydrophobicContact CE1-CD2 3.44Å; Y97-Y203 VanDerWaalsContact CE1-CD2 3.44Å; Y97-Y203 HydrophobicContact CE1-CE2 4.12Å; Y97-Y203 HydrophobicContact CE1-CG 4.37Å; Y97-Y203 HydrophobicContact CE2-CD2 4.08Å; Y97-Y203 HydrophobicContact CE2-CG 4.32Å; Y97-Y203 HydrophobicContact CG-CD2 4.2Å; Y97-Y203 AromaticContact CZ-CD2 3.61Å; Y107-Y203 HydrophobicContact CE2-CE2 4.21Å; E196-Y203 HydrophobicContact CB-CD1 4.07Å; E196-Y203 HydrophobicContact CB-CE1 4.15Å; E196-Y203 HydrophobicContact CG-CD1 4.32Å; N197-Y203 HydrophobicContact CB-CE1 4.39Å; C200-Y203 PolarHBondContact O-N 3.47Å; Q201-Y203 PolarHBondContact O-N 3.31Å; Y203-T205 HydrophobicContact CD1-CG2 4.21Å; Y203-T205 HydrophobicContact CD2-CG2 4.13Å; Y203-T205 HydrophobicContact CE1-CG2 3.7Å; Y203-T205 HydrophobicContact CE2-CG2 3.64Å; Y203-T205 HydrophobicContact CG-CG2 4.43Å; Y203-T205 VanDerWaalsContact CZ-CG2 3.41Å | ||
| 204 | I | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 4% | 0.036 | 7% | 0.072 | C | C | . | . | trans | -131.6 | 120.7 | -179.7 | -57.4 | 169.2 | 0 | 0 | 0 | 107.6 | D202 F208 F209 A224 Y229 V232 | D202-I204 PolarHBondContact O-N 2.87Å; D202-I204 VanDerWaalsContact O-N 3.08Å; I204-F208 HydrophobicContact CG2-CB 3.69Å; I204-F208 HydrophobicContact CG2-CD1 3.56Å; I204-F208 HydrophobicContact CG2-CE1 4.43Å; I204-F208 HydrophobicContact CG2-CG 3.77Å; I204-F209 HydrophobicContact CB-CE2 4.3Å; I204-F209 HydrophobicContact CG2-CD2 4.45Å; I204-F209 HydrophobicContact CG2-CE2 3.65Å; I204-F209 HydrophobicContact CG2-CZ 3.86Å; I204-A224 HydrophobicContact CD1-CB 4.14Å; I204-A224 HydrophobicContact CG1-CB 3.88Å; I204-Y229 HydrophobicContact CB-CE1 4.31Å; I204-Y229 HydrophobicContact CD1-CD1 3.67Å; I204-Y229 HydrophobicContact CD1-CD2 4.21Å; I204-Y229 HydrophobicContact CD1-CE1 3.91Å; I204-Y229 HydrophobicContact CD1-CE2 4.42Å; I204-Y229 HydrophobicContact CD1-CG 3.82Å; I204-Y229 HydrophobicContact CG1-CD1 4.11Å; I204-Y229 HydrophobicContact CG1-CE1 3.79Å; I204-Y229 HydrophobicContact CG1-CE2 4.29Å; I204-Y229 HydrophobicContact CG1-CG 4.48Å; I204-Y229 HydrophobicContact CG2-CD1 4.13Å; I204-Y229 HydrophobicContact CG2-CE1 3.6Å; I204-V232 HydrophobicContact CD1-CG2 3.48Å; I204-V232 VanDerWaalsContact CD1-CG2 3.48Å; I204-V232 HydrophobicContact CG2-CG2 4.47Å | ||
| 205 | T | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -113.4 | -173.5 | -162.4 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | Y107 E196 Y203 K207 F208 F209 | Y107-T205 HydrophobicContact CD2-CG2 4.08Å; Y107-T205 HydrophobicContact CE2-CG2 3.89Å; Y107-T205 HydrophobicContact CG-CG2 4.49Å; E196-T205 WeakPolarHBondContact OE1-CB 3.12Å; E196-T205 WeakPolarHBondContact OE1-CG2 3.34Å; E196-T205 PolarHBondContact OE1-N 2.04Å; E196-T205 PolarHBondContact OE1-OG1 3.45Å; E196-T205 WeakPolarHBondContact OE2-CG2 3.36Å; E196-T205 PolarHBondContact OE2-OG1 3.07Å; Y203-T205 HydrophobicContact CD1-CG2 4.21Å; Y203-T205 HydrophobicContact CD2-CG2 4.13Å; Y203-T205 HydrophobicContact CE1-CG2 3.7Å; Y203-T205 HydrophobicContact CE2-CG2 3.64Å; Y203-T205 HydrophobicContact CG-CG2 4.43Å; Y203-T205 VanDerWaalsContact CZ-CG2 3.41Å; T205-K207 PolarHBondContact O-N 3.35Å; T205-K207 VanDerWaalsContact O-N 3.1Å; T205-K207 PolarHBondContact OG1-N 3.15Å; T205-K207 PolarHBondContact OG1-NZ 3.28Å; T205-F208 PolarHBondContact O-N 3.49Å; T205-F209 WeakPolarHBondContact O-CD2 3.38Å; T205-F209 PolarHBondContact O-N 2.78Å | ||
| 206 | E | 96.5 | Very high | 97.7 | Very high | 39 Ų | 39 | 17.1 Ų | 17.1 | 18% | 0.182 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.3 | -24.6 | 172.9 | 78.6 | -64.7 | 151.8 | 0 | 0 | 113 | Y107 F208 F209 L210 N211 W279 | Y107-E206 HydrophobicContact CD1-CB 4.49Å; Y107-E206 WeakPolarHBondContact CD1-OE2 3.47Å; Y107-E206 WeakPolarHBondContact CE1-OE2 3.41Å; E206-F208 PolarHBondContact O-N 3.19Å; E206-F209 PolarHBondContact O-N 2.97Å; E206-L210 HydrophobicContact CB-CB 4.06Å; E206-L210 CarbonylContact O-C 3.22Å; E206-L210 WeakPolarHBondContact O-CA 3.45Å; E206-L210 VanDerWaalsContact O-CB 3.31Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 PolarHBondContact O-N 3.23Å; E206-N211 PolarHBondContact O-N 3.4Å; E206-W279 HydrophobicContact CB-CH2 3.72Å; E206-W279 HydrophobicContact CB-CZ2 3.62Å; E206-W279 HydrophobicContact CG-CH2 4.13Å; E206-W279 HydrophobicContact CG-CZ2 4.08Å |
| 207 | K | 98.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 17.1 Ų | 17.1 | 11% | 0.109 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.9 | -35.6 | 176 | -68.1 | 166.9 | -150.7 | 62.2 | 0 | 112 | Y192 S194 E196 T205 | Y192-K207 WeakPolarHBondContact CE1-O 3.28Å; S194-K207 WeakPolarHBondContact CB-O 2.95Å; S194-K207 PolarHBondContact OG-O 2.93Å; E196-K207 IonicContact OE2-NZ 3.53Å; T205-K207 PolarHBondContact O-N 3.35Å; T205-K207 VanDerWaalsContact O-N 3.1Å; T205-K207 PolarHBondContact OG1-N 3.15Å; T205-K207 PolarHBondContact OG1-NZ 3.28Å |
| 208 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -80.8 | -54.3 | 177.6 | 178 | -111.1 | 0 | 0 | 0 | 110.9 | I204 T205 E206 L213 P219 V221 Y229 A233 F238 | I204-F208 HydrophobicContact CG2-CB 3.69Å; I204-F208 HydrophobicContact CG2-CD1 3.56Å; I204-F208 HydrophobicContact CG2-CE1 4.43Å; I204-F208 HydrophobicContact CG2-CG 3.77Å; T205-F208 PolarHBondContact O-N 3.49Å; E206-F208 PolarHBondContact O-N 3.19Å; F208-L213 HydrophobicContact CD1-CD1 4.16Å; F208-L213 HydrophobicContact CE1-CD1 3.58Å; F208-L213 HydrophobicContact CE2-CD1 4.24Å; F208-L213 HydrophobicContact CZ-CD1 3.62Å; F208-L213 HydrophobicContact CZ-CG 4.38Å; F208-L213 PolarHBondContact O-N 2.03Å; F208-P219 HydrophobicContact CD2-CB 3.66Å; F208-P219 HydrophobicContact CD2-CG 3.85Å; F208-P219 HydrophobicContact CE2-CB 3.8Å; F208-P219 HydrophobicContact CE2-CG 3.48Å; F208-P219 VanDerWaalsContact CE2-CG 3.48Å; F208-P219 HydrophobicContact CZ-CG 4.44Å; F208-V221 HydrophobicContact CD2-CG1 3.44Å; F208-V221 VanDerWaalsContact CD2-CG1 3.44Å; F208-V221 HydrophobicContact CE2-CG1 3.75Å; F208-Y229 HydrophobicContact CB-CE1 4.49Å; F208-Y229 HydrophobicContact CD1-CE1 4.48Å; F208-Y229 HydrophobicContact CD2-CD1 4.22Å; F208-Y229 AromaticContact CD2-CE1 3.88Å; F208-Y229 HydrophobicContact CD2-CE1 3.88Å; F208-Y229 HydrophobicContact CE1-CD1 4.46Å; F208-Y229 HydrophobicContact CE2-CD1 4.07Å; F208-Y229 HydrophobicContact CE2-CE1 4.19Å; F208-Y229 HydrophobicContact CG-CD1 4.47Å; F208-Y229 HydrophobicContact CG-CE1 4.03Å; F208-Y229 HydrophobicContact CZ-CD1 4.2Å; F208-A233 HydrophobicContact CE1-CB 3.85Å; F208-A233 HydrophobicContact CZ-CB 3.54Å; F208-F238 HydrophobicContact CE2-CB 3.76Å; F208-F238 HydrophobicContact CE2-CG 4.29Å; F208-F238 HydrophobicContact CZ-CB 4.32Å; F208-F238 HydrophobicContact CZ-CD1 4.34Å |
| 209 | F | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -78.5 | -54.8 | -172 | -57.1 | -75.1 | 0 | 0 | 0 | 112.9 | G108 I204 T205 E206 L213 M214 V232 V276 V278 | G108-F209 VanDerWaalsContact C-CZ 3.47Å; G108-F209 VanDerWaalsContact O-CZ 3.22Å; G108-F209 WeakPolarHBondContact O-CZ 3.28Å; I204-F209 HydrophobicContact CB-CE2 4.3Å; I204-F209 HydrophobicContact CG2-CD2 4.45Å; I204-F209 HydrophobicContact CG2-CE2 3.65Å; I204-F209 HydrophobicContact CG2-CZ 3.86Å; T205-F209 WeakPolarHBondContact O-CD2 3.38Å; T205-F209 PolarHBondContact O-N 2.78Å; E206-F209 PolarHBondContact O-N 2.97Å; F209-L213 HydrophobicContact CD1-CD1 4.48Å; F209-M214 WeakPolarHBondContact O-CB 3.39Å; F209-M214 WeakPolarHBondContact O-CG 3.47Å; F209-M214 PolarHBondContact O-N 3.39Å; F209-V232 HydrophobicContact CE1-CG2 4.36Å; F209-V232 HydrophobicContact CZ-CB 4.16Å; F209-V232 HydrophobicContact CZ-CG2 3.87Å; F209-V276 HydrophobicContact CB-CG1 3.98Å; F209-V276 HydrophobicContact CD1-CG1 3.88Å; F209-V276 HydrophobicContact CG-CG1 4.41Å; F209-V278 HydrophobicContact CB-CG2 3.36Å; F209-V278 HydrophobicContact CG-CG2 4.39Å |
| 210 | L | 97.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 15.6 Ų | 15.6 | 19% | 0.194 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -56.4 | -175.6 | 178.7 | 62 | 0 | 0 | 0 | 111.2 | L182 E206 A212 M214 N215 V278 W279 | L182-L210 HydrophobicContact CD1-CD1 4.2Å; L182-L210 HydrophobicContact CD1-CD2 4.22Å; L182-L210 HydrophobicContact CD1-CG 4.03Å; E206-L210 HydrophobicContact CB-CB 4.06Å; E206-L210 CarbonylContact O-C 3.22Å; E206-L210 WeakPolarHBondContact O-CA 3.45Å; E206-L210 VanDerWaalsContact O-CB 3.31Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 PolarHBondContact O-N 3.23Å; L210-A212 VanDerWaalsContact C-N 3.29Å; L210-A212 PolarHBondContact O-N 2.72Å; L210-M214 HydrophobicContact CD1-CE 4.48Å; L210-M214 HydrophobicContact CD1-SD 4.07Å; L210-N215 PolarHBondContact O-ND2 3.35Å; L210-V278 HydrophobicContact CB-CG1 4.41Å; L210-V278 HydrophobicContact CB-CG2 4.23Å; L210-W279 HydrophobicContact CD2-CH2 3.85Å; L210-W279 HydrophobicContact CD2-CZ3 3.77Å |
| 211 | N | 97.9 | Very high | 98 | Very high | 20 Ų | 20 | 15.6 Ų | 15.6 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -26.6 | -168.4 | -60.2 | 7.2 | 0 | 0 | 0 | 113 | L182 Y192 E206 | L182-N211 HydrophobicContact CD2-CB 4.1Å; Y192-N211 HydrophobicContact CD1-CB 4.22Å; Y192-N211 HydrophobicContact CE1-CB 3.57Å; Y192-N211 HydrophobicContact CE2-CB 4.05Å; Y192-N211 VanDerWaalsContact CZ-CB 3.47Å; Y192-N211 PolarHBondContact OH-ND2 3.37Å; E206-N211 PolarHBondContact O-N 3.4Å |
| 212 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -73.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y192 L210 M214 N215 N216 A217 P219 | Y192-A212 HydrophobicContact CD1-CB 3.87Å; Y192-A212 HydrophobicContact CG-CB 4.16Å; L210-A212 VanDerWaalsContact C-N 3.29Å; L210-A212 PolarHBondContact O-N 2.72Å; A212-M214 PolarHBondContact O-N 2.93Å; A212-N215 CarbonylContact O-C 3.5Å; A212-N215 WeakPolarHBondContact O-CA 3.5Å; A212-N215 PolarHBondContact O-N 3.25Å; A212-N216 PolarHBondContact O-N 3.23Å; A212-N216 VanDerWaalsContact O-N 3.15Å; A212-A217 CarbonylContact C-O 3.45Å; A212-A217 VanDerWaalsContact C-O 3.31Å; A212-A217 PolarHBondContact O-N 2.92Å; A212-A217 VanDerWaalsContact O-N 3.13Å; A212-P219 HydrophobicContact CB-CB 3.64Å; A212-P219 HydrophobicContact CB-CG 4.22Å |
| 213 | L | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -58.3 | -51.2 | -170.5 | -67.9 | 177.6 | 0 | 0 | 0 | 112.9 | F208 F209 N215 N216 P219 P234 W270 V276 | F208-L213 HydrophobicContact CD1-CD1 4.16Å; F208-L213 HydrophobicContact CE1-CD1 3.58Å; F208-L213 HydrophobicContact CE2-CD1 4.24Å; F208-L213 HydrophobicContact CZ-CD1 3.62Å; F208-L213 HydrophobicContact CZ-CG 4.38Å; F208-L213 PolarHBondContact O-N 2.03Å; F209-L213 HydrophobicContact CD1-CD1 4.48Å; L213-N215 PolarHBondContact O-N 3.05Å; L213-N216 PolarHBondContact O-N 2.68Å; L213-P219 HydrophobicContact CD2-CG 3.75Å; L213-P219 HydrophobicContact CG-CG 4.11Å; L213-P234 HydrophobicContact CD1-CG 4.15Å; L213-W270 HydrophobicContact CB-CH2 4.34Å; L213-W270 HydrophobicContact CB-CZ2 4.09Å; L213-W270 HydrophobicContact CD2-CZ2 3.87Å; L213-W270 HydrophobicContact CG-CZ2 4.46Å; L213-V276 HydrophobicContact CB-CG2 4.49Å; L213-V276 HydrophobicContact CD1-CG2 4.04Å |
| 214 | M | 97 | Very high | 98 | Very high | 88 Ų | 88 | 13.2 Ų | 13.2 | 43% | 0.433 | 7% | 0.067 | S | C | . | . | G | 310 helix | trans | -68.1 | -14.2 | 178.5 | -70.1 | -179.3 | 72.1 | 0 | 0 | 113.7 | F209 L210 A212 V276 V278 | F209-M214 WeakPolarHBondContact O-CB 3.39Å; F209-M214 WeakPolarHBondContact O-CG 3.47Å; F209-M214 PolarHBondContact O-N 3.39Å; L210-M214 HydrophobicContact CD1-CE 4.48Å; L210-M214 HydrophobicContact CD1-SD 4.07Å; A212-M214 PolarHBondContact O-N 2.93Å; M214-V276 HydrophobicContact CG-CB 4.48Å; M214-V276 HydrophobicContact CG-CG1 4.07Å; M214-V278 HydrophobicContact SD-CB 4.28Å; M214-V278 HydrophobicContact SD-CG2 3.5Å; M214-V278 WeakPolarHBondContact SD-CG2 3.41Å |
| 215 | N | 96.9 | Very high | 97.9 | Very high | 17 Ų | 17 | 14.2 Ų | 14.2 | 9% | 0.091 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -111.9 | 27.9 | 178 | -77 | -72.2 | 0 | 0 | 0 | 112 | L182 K186 L210 A212 L213 A217 | L182-N215 PolarHBondContact O-OD1 3.23Å; K186-N215 WeakPolarHBondContact CA-O 3.31Å; K186-N215 HydrophobicContact CB-CB 4.11Å; K186-N215 WeakPolarHBondContact CB-O 3.03Å; L210-N215 PolarHBondContact O-ND2 3.35Å; A212-N215 CarbonylContact O-C 3.5Å; A212-N215 WeakPolarHBondContact O-CA 3.5Å; A212-N215 PolarHBondContact O-N 3.25Å; L213-N215 PolarHBondContact O-N 3.05Å; N215-A217 PolarHBondContact O-N 2.75Å |
| 216 | N | 96.2 | Very high | 98 | Very high | 35 Ų | 35 | 15.5 Ų | 15.5 | 19% | 0.187 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 33.2 | 169.5 | -66.8 | -9.8 | 0 | 0 | 0 | 114 | I131 K135 K186 A212 L213 H271 | I131-N216 HydrophobicContact CG2-CB 3.84Å; I131-N216 WeakPolarHBondContact CG2-O 3.19Å; K135-N216 WeakPolarHBondContact CE-O 3.49Å; K135-N216 PolarHBondContact NZ-O 2.72Å; K186-N216 HydrophobicContact CG-CB 4.45Å; A212-N216 PolarHBondContact O-N 3.23Å; A212-N216 VanDerWaalsContact O-N 3.15Å; L213-N216 PolarHBondContact O-N 2.68Å; N216-H271 PolarHBondContact OD1-CE1 3.06Å |
| 217 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -119.1 | 138 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V185 A212 N215 P219 | V185-A217 HydrophobicContact CG1-CB 3.62Å; A212-A217 CarbonylContact C-O 3.45Å; A212-A217 VanDerWaalsContact C-O 3.31Å; A212-A217 PolarHBondContact O-N 2.92Å; A212-A217 VanDerWaalsContact O-N 3.13Å; N215-A217 PolarHBondContact O-N 2.75Å; A217-P219 WeakPolarHBondContact O-CD 3.3Å | ||
| 218 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 113.9 | -177.5 | 175.3 | 52 | 0 | 0 | 0 | 109 | K190 F191 Y192 I220 S237 I239 L257 Y264 Y267 F268 | K190-L218 PolarHBondContact O-N 2.77Å; F191-L218 WeakPolarHBondContact CA-O 2.98Å; F191-L218 HydrophobicContact CD1-CB 4.03Å; F191-L218 HydrophobicContact CD1-CD2 4.14Å; F191-L218 HydrophobicContact CD1-CG 4.31Å; F191-L218 HydrophobicContact CE1-CD2 4.07Å; Y192-L218 PolarHBondContact N-O 3.17Å; L218-I220 PolarHBondContact O-N 3.32Å; L218-S237 WeakPolarHBondContact CD1-O 3.31Å; L218-I239 HydrophobicContact CD2-CD1 3.61Å; L218-I239 HydrophobicContact CD2-CG1 4.14Å; L218-I239 HydrophobicContact CG-CD1 4.18Å; L218-I239 HydrophobicContact CG-CG1 4.39Å; L218-L257 HydrophobicContact CD2-CD1 4.01Å; L218-Y264 HydrophobicContact CB-CE2 3.94Å; L218-Y264 HydrophobicContact CD2-CD2 4.44Å; L218-Y264 HydrophobicContact CD2-CE2 4.44Å; L218-Y267 HydrophobicContact CD1-CD1 3.57Å; L218-Y267 HydrophobicContact CD1-CE1 4.24Å; L218-Y267 HydrophobicContact CD1-CG 3.76Å; L218-Y267 HydrophobicContact CD2-CD1 4.03Å; L218-Y267 HydrophobicContact CD2-CD2 3.65Å; L218-Y267 HydrophobicContact CD2-CE1 4.35Å; L218-Y267 HydrophobicContact CD2-CE2 4.01Å; L218-Y267 HydrophobicContact CD2-CG 3.65Å; L218-Y267 HydrophobicContact CG-CD1 4.48Å; L218-Y267 HydrophobicContact CG-CG 4.38Å; L218-F268 HydrophobicContact CB-CE2 4.24Å; L218-F268 HydrophobicContact CB-CZ 4Å |
| 219 | P | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.9 | 179.9 | 24 | -34.2 | 0 | 0 | 0 | 111.8 | S194 F208 A212 L213 A217 V221 S237 F238 I239 | S194-P219 WeakPolarHBondContact OG-CB 3.21Å; F208-P219 HydrophobicContact CD2-CB 3.66Å; F208-P219 HydrophobicContact CD2-CG 3.85Å; F208-P219 HydrophobicContact CE2-CB 3.8Å; F208-P219 HydrophobicContact CE2-CG 3.48Å; F208-P219 VanDerWaalsContact CE2-CG 3.48Å; F208-P219 HydrophobicContact CZ-CG 4.44Å; A212-P219 HydrophobicContact CB-CB 3.64Å; A212-P219 HydrophobicContact CB-CG 4.22Å; L213-P219 HydrophobicContact CD2-CG 3.75Å; L213-P219 HydrophobicContact CG-CG 4.11Å; A217-P219 WeakPolarHBondContact O-CD 3.3Å; P219-V221 HydrophobicContact CB-CG1 3.95Å; P219-S237 VanDerWaalsContact CD-O 3.32Å; P219-S237 WeakPolarHBondContact CD-O 3.36Å; P219-S237 VanDerWaalsContact CG-O 3.31Å; P219-S237 WeakPolarHBondContact CG-O 3.48Å; P219-F238 HydrophobicContact CG-CB 3.79Å; P219-I239 PolarHBondContact O-N 3.05Å |
| 220 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.7 | 164.7 | -46.6 | -52.3 | 0 | 0 | 0 | 107 | F191 Y192 L193 S194 F195 L218 I239 V241 L250 L254 | F191-I220 HydrophobicContact CB-CD1 4.33Å; F191-I220 HydrophobicContact CB-CG1 4.07Å; F191-I220 HydrophobicContact CD1-CD1 4.23Å; Y192-I220 PolarHBondContact O-N 3.22Å; L193-I220 HydrophobicContact CD2-CB 3.8Å; L193-I220 HydrophobicContact CD2-CG1 4.17Å; L193-I220 HydrophobicContact CD2-CG2 4.09Å; S194-I220 PolarHBondContact N-O 3.26Å; F195-I220 WeakPolarHBondContact CD1-O 3.46Å; F195-I220 HydrophobicContact CE1-CG2 4.1Å; L218-I220 PolarHBondContact O-N 3.32Å; I220-I239 CarbonylContact C-O 3.54Å; I220-I239 WeakPolarHBondContact CA-O 3.44Å; I220-I239 HydrophobicContact CD1-CB 3.75Å; I220-I239 HydrophobicContact CD1-CD1 3.84Å; I220-I239 HydrophobicContact CD1-CG1 4.23Å; I220-I239 HydrophobicContact CD1-CG2 4.3Å; I220-V241 HydrophobicContact CG2-CG1 4.36Å; I220-L250 HydrophobicContact CG2-CD1 4.41Å; I220-L250 HydrophobicContact CG2-CD2 3.9Å; I220-L254 HydrophobicContact CD1-CD1 4.49Å; I220-L254 HydrophobicContact CD1-CD2 3.56Å; I220-L254 HydrophobicContact CG1-CD1 4.44Å; I220-L254 HydrophobicContact CG1-CD2 4.36Å |
| 221 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.7 | -165.9 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | F208 P219 Y229 F238 I239 H240 V241 | F208-V221 HydrophobicContact CD2-CG1 3.44Å; F208-V221 VanDerWaalsContact CD2-CG1 3.44Å; F208-V221 HydrophobicContact CE2-CG1 3.75Å; P219-V221 HydrophobicContact CB-CG1 3.95Å; V221-Y229 HydrophobicContact CB-CD1 4.35Å; V221-Y229 HydrophobicContact CB-CE1 3.71Å; V221-Y229 HydrophobicContact CB-CE2 3.97Å; V221-Y229 HydrophobicContact CG1-CD1 4.15Å; V221-Y229 HydrophobicContact CG1-CE1 3.55Å; V221-Y229 HydrophobicContact CG2-CD1 4.21Å; V221-Y229 HydrophobicContact CG2-CD2 4.09Å; V221-Y229 HydrophobicContact CG2-CE1 4.04Å; V221-Y229 HydrophobicContact CG2-CE2 3.92Å; V221-Y229 HydrophobicContact CG2-CG 4.24Å; V221-F238 HydrophobicContact CG1-CB 4.39Å; V221-F238 HydrophobicContact CG2-CD2 3.62Å; V221-F238 HydrophobicContact CG2-CE2 4.22Å; V221-F238 HydrophobicContact CG2-CG 4.44Å; V221-I239 WeakPolarHBondContact CG2-O 3.2Å; V221-I239 PolarHBondContact N-O 3.06Å; V221-H240 HydrophobicContact CG2-CB 3.79Å; V221-H240 VanDerWaalsContact CG2-CD2 3.46Å; V221-H240 WeakPolarHBondContact CG2-CD2 3.39Å; V221-V241 WeakPolarHBondContact O-CG1 3.47Å; V221-V241 PolarHBondContact O-N 2.63Å |
| 222 | M | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 118.1 | 171.9 | 173.5 | -168.7 | -67.6 | 0 | 0 | 107.4 | P151 R152 Y155 F195 E196 L199 V241 L318 | P151-M222 HydrophobicContact CG-SD 4.3Å; R152-M222 HydrophobicContact CB-SD 3.79Å; Y155-M222 HydrophobicContact CD1-CE 3.85Å; Y155-M222 HydrophobicContact CD2-CE 3.33Å; Y155-M222 HydrophobicContact CE2-CE 4.1Å; Y155-M222 HydrophobicContact CG-CE 3.22Å; F195-M222 HydrophobicContact CB-CB 4.35Å; F195-M222 HydrophobicContact CD1-CB 3.47Å; F195-M222 VanDerWaalsContact CD1-CB 3.47Å; F195-M222 HydrophobicContact CD2-CE 4.32Å; F195-M222 HydrophobicContact CD2-SD 4.47Å; F195-M222 HydrophobicContact CE1-CB 3.85Å; F195-M222 HydrophobicContact CE1-CE 4.45Å; F195-M222 HydrophobicContact CE2-CE 4.07Å; F195-M222 HydrophobicContact CG-CB 3.95Å; F195-M222 HydrophobicContact CG-SD 4.44Å; F195-M222 HydrophobicContact CZ-CE 4.14Å; E196-M222 WeakPolarHBondContact CB-O 3.32Å; E196-M222 PolarHBondContact N-O 3.33Å; L199-M222 HydrophobicContact CD2-CG 3.83Å; M222-V241 HydrophobicContact CB-CG1 4.26Å; M222-V241 HydrophobicContact CB-CG2 3.9Å; M222-V241 HydrophobicContact CE-CG1 4.25Å; M222-V241 HydrophobicContact CE-CG2 4.23Å; M222-V241 HydrophobicContact CG-CG2 4.11Å; M222-L318 HydrophobicContact CE-CD1 3.43Å; M222-L318 VanDerWaalsContact CE-CD1 3.43Å; M222-L318 HydrophobicContact CG-CD1 3.94Å; M222-L318 HydrophobicContact CG-CD2 3.92Å; M222-L318 HydrophobicContact SD-CD1 3.71Å |
| 223 | G | 97.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 170 | -111.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 224 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -57.5 | 166.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I204 E228 Y229 H240 | I204-A224 HydrophobicContact CD1-CB 4.14Å; I204-A224 HydrophobicContact CG1-CB 3.88Å; A224-E228 WeakPolarHBondContact CA-OE2 3.05Å; A224-E228 HydrophobicContact CB-CB 3.86Å; A224-E228 WeakPolarHBondContact CB-OE2 3.28Å; A224-Y229 HydrophobicContact CB-CD2 4.25Å; A224-Y229 HydrophobicContact CB-CE2 4.02Å; A224-Y229 VanDerWaalsContact O-CE2 3.32Å; A224-Y229 WeakPolarHBondContact O-CE2 3.22Å; A224-H240 PolarHBondContact O-NE2 3Å |
| 225 | S | 97.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | trans | -73.6 | 164.9 | -177.7 | 82.7 | 0 | 0 | 0 | 0 | 111.2 | E227 E228 Y229 | S225-E227 VanDerWaalsContact CB-OE2 3.28Å; S225-E227 WeakPolarHBondContact CB-OE2 3.35Å; S225-E227 PolarHBondContact O-N 2.7Å; S225-E227 PolarHBondContact OG-N 3.14Å; S225-E227 PolarHBondContact OG-OE2 2.83Å; S225-E228 PolarHBondContact N-OE2 2.94Å; S225-E228 PolarHBondContact O-N 3.18Å; S225-E228 WeakPolarHBondContact OG-CG 3.46Å; S225-E228 PolarHBondContact OG-N 3.34Å; S225-Y229 WeakPolarHBondContact O-CD2 3.1Å; S225-Y229 PolarHBondContact O-N 3.43Å | ||
| 226 | V | 98 | Very high | 97.8 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.4 | -44.3 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 111 | E228 Y229 H230 H240 | V226-E228 PolarHBondContact O-N 2.77Å; V226-Y229 PolarHBondContact O-N 2.93Å; V226-H230 PolarHBondContact O-CD2 3.45Å; V226-H230 PolarHBondContact O-N 3.22Å; V226-H240 HydrophobicContact CG2-CB 3.88Å |
| 227 | E | 97.5 | Very high | 97.9 | Very high | 123 Ų | 123 | 29.7 Ų | 29.7 | 58% | 0.575 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -65.8 | -37.5 | 179.6 | -56.2 | 71.8 | -154.5 | 0 | 0 | 111.9 | S225 H230 K231 | S225-E227 VanDerWaalsContact CB-OE2 3.28Å; S225-E227 WeakPolarHBondContact CB-OE2 3.35Å; S225-E227 PolarHBondContact O-N 2.7Å; S225-E227 PolarHBondContact OG-N 3.14Å; S225-E227 PolarHBondContact OG-OE2 2.83Å; E227-H230 PolarHBondContact O-N 2.94Å; E227-K231 WeakPolarHBondContact O-CG 3.04Å; E227-K231 PolarHBondContact O-N 3.16Å |
| 228 | E | 97.9 | Very high | 98 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -38.7 | 178 | -67.6 | 167.8 | 153 | 0 | 0 | 111.4 | Q201 A224 S225 V226 K231 R316 | Q201-E228 WeakPolarHBondContact CA-OE1 3.44Å; Q201-E228 WeakPolarHBondContact CG-OE1 3.29Å; A224-E228 WeakPolarHBondContact CA-OE2 3.05Å; A224-E228 HydrophobicContact CB-CB 3.86Å; A224-E228 WeakPolarHBondContact CB-OE2 3.28Å; S225-E228 PolarHBondContact N-OE2 2.94Å; S225-E228 PolarHBondContact O-N 3.18Å; S225-E228 WeakPolarHBondContact OG-CG 3.46Å; S225-E228 PolarHBondContact OG-N 3.34Å; V226-E228 PolarHBondContact O-N 2.77Å; E228-K231 PolarHBondContact O-N 2.99Å; E228-R316 IonicContact OE1-CZ 3.32Å; E228-R316 IonicContact OE1-NH1 3.25Å; E228-R316 PolarHBondContact OE1-NH1 3.43Å; E228-R316 IonicContact OE1-NH2 2.68Å; E228-R316 IonicContact OE2-CZ 3.84Å; E228-R316 VanDerWaalsContact OE2-CZ 3.32Å; E228-R316 IonicContact OE2-NH1 3.88Å; E228-R316 PolarHBondContact OE2-NH1 3.2Å; E228-R316 IonicContact OE2-NH2 3.05Å; E228-R316 PolarHBondContact OE2-NH2 3.29Å |
| 229 | Y | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 170.1 | -85.4 | -83.1 | 0 | 0 | 0 | 111.8 | I204 F208 V221 A224 S225 V226 K231 V232 A233 F238 H240 | I204-Y229 HydrophobicContact CB-CE1 4.31Å; I204-Y229 HydrophobicContact CD1-CD1 3.67Å; I204-Y229 HydrophobicContact CD1-CD2 4.21Å; I204-Y229 HydrophobicContact CD1-CE1 3.91Å; I204-Y229 HydrophobicContact CD1-CE2 4.42Å; I204-Y229 HydrophobicContact CD1-CG 3.82Å; I204-Y229 HydrophobicContact CG1-CD1 4.11Å; I204-Y229 HydrophobicContact CG1-CE1 3.79Å; I204-Y229 HydrophobicContact CG1-CE2 4.29Å; I204-Y229 HydrophobicContact CG1-CG 4.48Å; I204-Y229 HydrophobicContact CG2-CD1 4.13Å; I204-Y229 HydrophobicContact CG2-CE1 3.6Å; F208-Y229 HydrophobicContact CB-CE1 4.49Å; F208-Y229 HydrophobicContact CD1-CE1 4.48Å; F208-Y229 HydrophobicContact CD2-CD1 4.22Å; F208-Y229 AromaticContact CD2-CE1 3.88Å; F208-Y229 HydrophobicContact CD2-CE1 3.88Å; F208-Y229 HydrophobicContact CE1-CD1 4.46Å; F208-Y229 HydrophobicContact CE2-CD1 4.07Å; F208-Y229 HydrophobicContact CE2-CE1 4.19Å; F208-Y229 HydrophobicContact CG-CD1 4.47Å; F208-Y229 HydrophobicContact CG-CE1 4.03Å; F208-Y229 HydrophobicContact CZ-CD1 4.2Å; V221-Y229 HydrophobicContact CB-CD1 4.35Å; V221-Y229 HydrophobicContact CB-CE1 3.71Å; V221-Y229 HydrophobicContact CB-CE2 3.97Å; V221-Y229 HydrophobicContact CG1-CD1 4.15Å; V221-Y229 HydrophobicContact CG1-CE1 3.55Å; V221-Y229 HydrophobicContact CG2-CD1 4.21Å; V221-Y229 HydrophobicContact CG2-CD2 4.09Å; V221-Y229 HydrophobicContact CG2-CE1 4.04Å; V221-Y229 HydrophobicContact CG2-CE2 3.92Å; V221-Y229 HydrophobicContact CG2-CG 4.24Å; A224-Y229 HydrophobicContact CB-CD2 4.25Å; A224-Y229 HydrophobicContact CB-CE2 4.02Å; A224-Y229 VanDerWaalsContact O-CE2 3.32Å; A224-Y229 WeakPolarHBondContact O-CE2 3.22Å; S225-Y229 WeakPolarHBondContact O-CD2 3.1Å; S225-Y229 PolarHBondContact O-N 3.43Å; V226-Y229 PolarHBondContact O-N 2.93Å; Y229-K231 PolarHBondContact O-N 3.28Å; Y229-K231 VanDerWaalsContact O-N 3.15Å; Y229-V232 PolarHBondContact O-N 2.97Å; Y229-V232 VanDerWaalsContact O-N 3.08Å; Y229-A233 WeakPolarHBondContact O-CB 3.37Å; Y229-A233 PolarHBondContact O-N 2.84Å; Y229-F238 VanDerWaalsContact CB-CZ 3.43Å; Y229-F238 HydrophobicContact CG-CE2 4.3Å; Y229-F238 HydrophobicContact CG-CZ 4.42Å; Y229-H240 AromaticContact CD2-CD2 3.72Å; Y229-H240 AromaticContact CE2-CD2 3.9Å |
| 230 | H | 97.8 | Very high | 97.9 | Very high | 103 Ų | 103 | 30.1 Ų | 30.1 | 48% | 0.477 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.2 | -24.3 | 178.1 | -77.2 | -54.3 | 0 | 0 | 0 | 114.3 | V226 E227 V232 F238 | V226-H230 PolarHBondContact O-CD2 3.45Å; V226-H230 PolarHBondContact O-N 3.22Å; E227-H230 PolarHBondContact O-N 2.94Å; H230-V232 VanDerWaalsContact C-N 3.3Å; H230-V232 PolarHBondContact O-N 3.35Å; H230-F238 AromaticContact CE1-CE1 3.82Å; H230-F238 AromaticContact CE1-CZ 3.57Å; H230-F238 AromaticContact ND1-CE1 3.68Å; H230-F238 AromaticContact ND1-CZ 3.7Å; H230-F238 AromaticContact NE2-CZ 3.86Å |
| 231 | K | 96.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 30.2 Ų | 30.2 | 54% | 0.543 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23 | 176.6 | -65.7 | 170.4 | -169.3 | 170.6 | 0 | 113.7 | F99 E227 E228 Y229 | F99-K231 HydrophobicContact CD2-CD 4.18Å; F99-K231 HydrophobicContact CE2-CB 3.92Å; F99-K231 HydrophobicContact CE2-CD 3.78Å; F99-K231 HydrophobicContact CZ-CB 3.68Å; F99-K231 HydrophobicContact CZ-CD 4.17Å; E227-K231 WeakPolarHBondContact O-CG 3.04Å; E227-K231 PolarHBondContact O-N 3.16Å; E228-K231 PolarHBondContact O-N 2.99Å; Y229-K231 PolarHBondContact O-N 3.28Å; Y229-K231 VanDerWaalsContact O-N 3.15Å |
| 232 | V | 96.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -20.8 | -171.9 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | F99 R104 Y110 I204 F209 Y229 H230 | F99-V232 HydrophobicContact CE2-CG1 3.92Å; F99-V232 HydrophobicContact CZ-CG1 3.45Å; F99-V232 VanDerWaalsContact CZ-CG1 3.45Å; R104-V232 VanDerWaalsContact NH2-CG1 3.29Å; Y110-V232 WeakPolarHBondContact CB-O 3.38Å; Y110-V232 PolarHBondContact N-O 2.84Å; I204-V232 HydrophobicContact CD1-CG2 3.48Å; I204-V232 VanDerWaalsContact CD1-CG2 3.48Å; I204-V232 HydrophobicContact CG2-CG2 4.47Å; F209-V232 HydrophobicContact CE1-CG2 4.36Å; F209-V232 HydrophobicContact CZ-CB 4.16Å; F209-V232 HydrophobicContact CZ-CG2 3.87Å; Y229-V232 PolarHBondContact O-N 2.97Å; Y229-V232 VanDerWaalsContact O-N 3.08Å; H230-V232 VanDerWaalsContact C-N 3.3Å; H230-V232 PolarHBondContact O-N 3.35Å |
| 233 | A | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -83.3 | 153 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F208 Y229 F238 | F208-A233 HydrophobicContact CE1-CB 3.85Å; F208-A233 HydrophobicContact CZ-CB 3.54Å; Y229-A233 WeakPolarHBondContact O-CB 3.37Å; Y229-A233 PolarHBondContact O-N 2.84Å; A233-F238 HydrophobicContact CB-CD1 3.7Å; A233-F238 HydrophobicContact CB-CE1 3.72Å |
| 234 | P | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 146.6 | 161.7 | -11.3 | 21.7 | 0 | 0 | 0 | 110.7 | Y110 L213 H236 S237 W270 V276 | Y110-P234 HydrophobicContact CD1-CB 4.23Å; Y110-P234 HydrophobicContact CD2-CB 3.69Å; Y110-P234 HydrophobicContact CD2-CG 3.57Å; Y110-P234 HydrophobicContact CE1-CB 4.36Å; Y110-P234 HydrophobicContact CE2-CB 3.81Å; Y110-P234 HydrophobicContact CE2-CG 4.13Å; Y110-P234 HydrophobicContact CG-CB 3.89Å; Y110-P234 HydrophobicContact CG-CG 3.83Å; L213-P234 HydrophobicContact CD1-CG 4.15Å; P234-H236 PolarHBondContact O-N 2.98Å; P234-S237 WeakPolarHBondContact CD-OG 3.34Å; P234-S237 WeakPolarHBondContact O-CB 3.09Å; P234-S237 PolarHBondContact O-OG 3.23Å; P234-W270 HydrophobicContact CB-CB 3.5Å; P234-W270 VanDerWaalsContact CB-CB 3.5Å; P234-W270 HydrophobicContact CB-CD2 3.48Å; P234-W270 VanDerWaalsContact CB-CD2 3.48Å; P234-W270 HydrophobicContact CB-CE3 3.84Å; P234-W270 HydrophobicContact CB-CG 3.32Å; P234-W270 HydrophobicContact CG-CD2 3.52Å; P234-W270 HydrophobicContact CG-CE3 3.66Å; P234-W270 HydrophobicContact CG-CG 3.93Å; P234-W270 HydrophobicContact CG-CH2 4.39Å; P234-W270 HydrophobicContact CG-CZ2 4.26Å; P234-W270 HydrophobicContact CG-CZ3 4.1Å; P234-V276 HydrophobicContact CG-CG2 3.77Å |
| 235 | P | 96.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 56% | 0.558 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 137 | 176.6 | -24.6 | 34 | 0 | 0 | 0 | 111.8 | S237 | P235-S237 PolarHBondContact O-N 2.98Š|
| 236 | H | 97.4 | Very high | 97.8 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 43% | 0.431 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 53.6 | 177.8 | -168.5 | 72 | 0 | 0 | 0 | 113.2 | P234 Y267 | P234-H236 PolarHBondContact O-N 2.98Å; H236-Y267 AromaticContact CE1-CE1 3.74Å; H236-Y267 AromaticContact CE1-CZ 3.79Å; H236-Y267 AromaticContact NE2-CD1 3.96Å; H236-Y267 AromaticContact NE2-CE1 3.95Å; H236-Y267 AromaticContact NE2-CZ 4Å; H236-Y267 CarbonylContact O-C 3.58Å; H236-Y267 VanDerWaalsContact O-CA 3.27Å; H236-Y267 WeakPolarHBondContact O-CA 3.26Å |
| 237 | S | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -125.9 | 3.7 | -173.7 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | L218 P219 P234 P235 | L218-S237 WeakPolarHBondContact CD1-O 3.31Å; P219-S237 VanDerWaalsContact CD-O 3.32Å; P219-S237 WeakPolarHBondContact CD-O 3.36Å; P219-S237 VanDerWaalsContact CG-O 3.31Å; P219-S237 WeakPolarHBondContact CG-O 3.48Å; P234-S237 WeakPolarHBondContact CD-OG 3.34Å; P234-S237 WeakPolarHBondContact O-CB 3.09Å; P234-S237 PolarHBondContact O-OG 3.23Å; P235-S237 PolarHBondContact O-N 2.98Å | ||
| 238 | F | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | trans | -150.1 | 162.2 | -175.5 | 70.1 | -91.5 | 0 | 0 | 0 | 111.7 | F208 P219 V221 Y229 H230 A233 H240 | F208-F238 HydrophobicContact CE2-CB 3.76Å; F208-F238 HydrophobicContact CE2-CG 4.29Å; F208-F238 HydrophobicContact CZ-CB 4.32Å; F208-F238 HydrophobicContact CZ-CD1 4.34Å; P219-F238 HydrophobicContact CG-CB 3.79Å; V221-F238 HydrophobicContact CG1-CB 4.39Å; V221-F238 HydrophobicContact CG2-CD2 3.62Å; V221-F238 HydrophobicContact CG2-CE2 4.22Å; V221-F238 HydrophobicContact CG2-CG 4.44Å; Y229-F238 VanDerWaalsContact CB-CZ 3.43Å; Y229-F238 HydrophobicContact CG-CE2 4.3Å; Y229-F238 HydrophobicContact CG-CZ 4.42Å; H230-F238 AromaticContact CE1-CE1 3.82Å; H230-F238 AromaticContact CE1-CZ 3.57Å; H230-F238 AromaticContact ND1-CE1 3.68Å; H230-F238 AromaticContact ND1-CZ 3.7Å; H230-F238 AromaticContact NE2-CZ 3.86Å; A233-F238 HydrophobicContact CB-CD1 3.7Å; A233-F238 HydrophobicContact CB-CE1 3.72Å; F238-H240 HydrophobicContact CD2-CB 4.29Å; F238-H240 HydrophobicContact CE2-CB 4.07Å | ||
| 239 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.9 | 172.9 | -62.4 | 173.6 | 0 | 0 | 0 | 107.6 | L218 P219 I220 V221 F244 L250 Y253 L254 L257 Y267 | L218-I239 HydrophobicContact CD2-CD1 3.61Å; L218-I239 HydrophobicContact CD2-CG1 4.14Å; L218-I239 HydrophobicContact CG-CD1 4.18Å; L218-I239 HydrophobicContact CG-CG1 4.39Å; P219-I239 PolarHBondContact O-N 3.05Å; I220-I239 CarbonylContact C-O 3.54Å; I220-I239 WeakPolarHBondContact CA-O 3.44Å; I220-I239 HydrophobicContact CD1-CB 3.75Å; I220-I239 HydrophobicContact CD1-CD1 3.84Å; I220-I239 HydrophobicContact CD1-CG1 4.23Å; I220-I239 HydrophobicContact CD1-CG2 4.3Å; V221-I239 WeakPolarHBondContact CG2-O 3.2Å; V221-I239 PolarHBondContact N-O 3.06Å; I239-F244 HydrophobicContact CG2-CD2 4.46Å; I239-F244 HydrophobicContact CG2-CE2 3.41Å; I239-F244 VanDerWaalsContact CG2-CE2 3.41Å; I239-F244 HydrophobicContact CG2-CZ 3.92Å; I239-L250 HydrophobicContact CG2-CD1 3.76Å; I239-Y253 HydrophobicContact CD1-CD1 4.01Å; I239-Y253 HydrophobicContact CD1-CE1 3.75Å; I239-Y253 HydrophobicContact CG1-CE1 4.36Å; I239-L254 HydrophobicContact CD1-CD2 3.88Å; I239-L257 HydrophobicContact CD1-CD1 3.58Å; I239-Y267 HydrophobicContact CG1-CE1 3.92Å |
| 240 | H | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.4 | 178.6 | -167.4 | -76.7 | 0 | 0 | 0 | 110.8 | V221 A224 V226 Y229 F238 D242 Q243 | V221-H240 HydrophobicContact CG2-CB 3.79Å; V221-H240 VanDerWaalsContact CG2-CD2 3.46Å; V221-H240 WeakPolarHBondContact CG2-CD2 3.39Å; A224-H240 PolarHBondContact O-NE2 3Å; V226-H240 HydrophobicContact CG2-CB 3.88Å; Y229-H240 AromaticContact CD2-CD2 3.72Å; Y229-H240 AromaticContact CE2-CD2 3.9Å; F238-H240 HydrophobicContact CD2-CB 4.29Å; F238-H240 HydrophobicContact CE2-CB 4.07Å; H240-D242 IonicContact CE1-OD2 3.64Å; H240-D242 PolarHBondContact CE1-OD2 3.1Å; H240-D242 VanDerWaalsContact CE1-OD2 3.28Å; H240-D242 PolarHBondContact ND1-N 2.92Å; H240-D242 VanDerWaalsContact ND1-N 3.14Å; H240-D242 IonicContact ND1-OD2 3.28Å; H240-D242 PolarHBondContact O-N 3.36Å; H240-D242 VanDerWaalsContact O-N 3.16Å; H240-Q243 HydrophobicContact CB-CG 4.17Å; H240-Q243 VanDerWaalsContact O-CB 3.3Å; H240-Q243 WeakPolarHBondContact O-CB 3.31Å; H240-Q243 PolarHBondContact O-N 3.41Å; H240-Q243 PolarHBondContact O-OE1 3.03Å |
| 241 | V | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -55.5 | -35.8 | -177 | -69.1 | 0 | 0 | 0 | 0 | 113.7 | Y155 F195 I220 V221 M222 Q243 F244 L250 L318 | Y155-V241 HydrophobicContact CD1-CG1 4.38Å; Y155-V241 HydrophobicContact CE1-CB 4.32Å; Y155-V241 HydrophobicContact CE1-CG1 3.7Å; Y155-V241 HydrophobicContact CE2-CB 3.91Å; Y155-V241 HydrophobicContact CE2-CG1 4.12Å; Y155-V241 HydrophobicContact CE2-CG2 4.49Å; Y155-V241 WeakPolarHBondContact OH-CB 3.35Å; F195-V241 HydrophobicContact CE1-CG1 3.81Å; F195-V241 HydrophobicContact CZ-CG1 3.99Å; I220-V241 HydrophobicContact CG2-CG1 4.36Å; V221-V241 WeakPolarHBondContact O-CG1 3.47Å; V221-V241 PolarHBondContact O-N 2.63Å; M222-V241 HydrophobicContact CB-CG1 4.26Å; M222-V241 HydrophobicContact CB-CG2 3.9Å; M222-V241 HydrophobicContact CE-CG1 4.25Å; M222-V241 HydrophobicContact CE-CG2 4.23Å; M222-V241 HydrophobicContact CG-CG2 4.11Å; V241-Q243 PolarHBondContact O-N 3.03Å; V241-F244 PolarHBondContact O-N 2.92Å; V241-F244 VanDerWaalsContact O-N 3.15Å; V241-L250 HydrophobicContact CG1-CD2 4.18Å; V241-L318 HydrophobicContact CG2-CD2 4.01Å |
| 242 | D | 97.7 | Very high | 98.1 | Very high | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -73.1 | -8 | -179.6 | -66.9 | -27.2 | 0 | 0 | 0 | 114.8 | H240 F244 L318 R319 | H240-D242 IonicContact CE1-OD2 3.64Å; H240-D242 PolarHBondContact CE1-OD2 3.1Å; H240-D242 VanDerWaalsContact CE1-OD2 3.28Å; H240-D242 PolarHBondContact ND1-N 2.92Å; H240-D242 VanDerWaalsContact ND1-N 3.14Å; H240-D242 IonicContact ND1-OD2 3.28Å; H240-D242 PolarHBondContact O-N 3.36Å; H240-D242 VanDerWaalsContact O-N 3.16Å; D242-F244 PolarHBondContact O-N 3.47Å; D242-L318 WeakPolarHBondContact OD1-CA 3.35Å; D242-L318 WeakPolarHBondContact OD1-CB 3.04Å; D242-R319 HydrophobicContact CB-CB 4.14Å; D242-R319 WeakPolarHBondContact O-CD 3.2Å; D242-R319 WeakPolarHBondContact OD1-CB 3.46Å; D242-R319 PolarHBondContact OD1-N 3.18Å |
| 243 | Q | 97.9 | Very high | 98.2 | Very high | 92 Ų | 92 | 44 Ų | 44 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -69.5 | -12.6 | 169 | -65 | 173.8 | -49.7 | 0 | 0 | 111.8 | H240 V241 | H240-Q243 HydrophobicContact CB-CG 4.17Å; H240-Q243 VanDerWaalsContact O-CB 3.3Å; H240-Q243 WeakPolarHBondContact O-CB 3.31Å; H240-Q243 PolarHBondContact O-N 3.41Å; H240-Q243 PolarHBondContact O-OE1 3.03Å; V241-Q243 PolarHBondContact O-N 3.03Å |
| 244 | F | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 43.7 Ų | 43.7 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -117.9 | 152.7 | -179.1 | -55.2 | -90.6 | 0 | 0 | 0 | 110.5 | I239 V241 D242 N246 E249 L250 Y253 R319 | I239-F244 HydrophobicContact CG2-CD2 4.46Å; I239-F244 HydrophobicContact CG2-CE2 3.41Å; I239-F244 VanDerWaalsContact CG2-CE2 3.41Å; I239-F244 HydrophobicContact CG2-CZ 3.92Å; V241-F244 PolarHBondContact O-N 2.92Å; V241-F244 VanDerWaalsContact O-N 3.15Å; D242-F244 PolarHBondContact O-N 3.47Å; F244-N246 VanDerWaalsContact C-N 3.34Å; F244-E249 HydrophobicContact CB-CB 4.37Å; F244-E249 HydrophobicContact CD1-CB 4.42Å; F244-L250 HydrophobicContact CB-CB 4.16Å; F244-L250 HydrophobicContact CD1-CB 4.34Å; F244-L250 HydrophobicContact CD2-CB 4.06Å; F244-L250 HydrophobicContact CD2-CD1 3.71Å; F244-L250 HydrophobicContact CD2-CG 4.42Å; F244-L250 HydrophobicContact CE2-CD1 3.58Å; F244-L250 HydrophobicContact CG-CB 3.89Å; F244-L250 HydrophobicContact CG-CD1 4.29Å; F244-L250 HydrophobicContact CZ-CD1 4.03Å; F244-Y253 VanDerWaalsContact CE1-CB 3.49Å; F244-Y253 AromaticContact CE1-CD1 3.93Å; F244-Y253 HydrophobicContact CE1-CD1 3.93Å; F244-Y253 AromaticContact CE1-CG 3.77Å; F244-Y253 HydrophobicContact CE1-CG 3.77Å; F244-Y253 AromaticContact CZ-CD1 3.51Å; F244-Y253 HydrophobicContact CZ-CD1 3.51Å; F244-Y253 HydrophobicContact CZ-CE1 4.22Å; F244-Y253 AromaticContact CZ-CG 3.87Å; F244-Y253 HydrophobicContact CZ-CG 3.87Å; F244-R319 WeakPolarHBondContact O-CD 3.12Å |
| 245 | E | 96.6 | Very high | 98.3 | Very high | 127 Ų | 127 | 48.3 Ų | 48.3 | 59% | 0.593 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -67.2 | -36.8 | 177.9 | -172.3 | 180 | 163 | 0 | 0 | 112.2 | ||
| 246 | N | 97 | Very high | 98.4 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -160.7 | 169.1 | -175.8 | 57.6 | 59.3 | 0 | 0 | 0 | 111.1 | F244 K248 E249 L250 | F244-N246 VanDerWaalsContact C-N 3.34Å; N246-K248 PolarHBondContact O-N 3.45Å; N246-K248 VanDerWaalsContact OD1-CB 3.29Å; N246-K248 WeakPolarHBondContact OD1-CB 3.4Å; N246-K248 PolarHBondContact OD1-N 3.09Å; N246-K248 VanDerWaalsContact OD1-N 3.09Å; N246-E249 PolarHBondContact O-N 2.76Å; N246-E249 PolarHBondContact OD1-N 2.79Å; N246-L250 PolarHBondContact O-N 3.37Å |
| 247 | P | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.3 | -26.5 | 179.6 | -26.9 | 34.2 | 0 | 0 | 0 | 115 | Y155 E158 L159 A251 W320 | Y155-P247 HydrophobicContact CD1-CB 4.49Å; Y155-P247 HydrophobicContact CD1-CG 4.1Å; Y155-P247 HydrophobicContact CD2-CG 4.11Å; Y155-P247 HydrophobicContact CE1-CB 4.02Å; Y155-P247 HydrophobicContact CE1-CG 3.82Å; Y155-P247 HydrophobicContact CE2-CG 3.84Å; Y155-P247 HydrophobicContact CG-CG 4.21Å; E158-P247 HydrophobicContact CB-CB 4.29Å; E158-P247 HydrophobicContact CB-CG 3.99Å; E158-P247 HydrophobicContact CG-CB 4.02Å; E158-P247 HydrophobicContact CG-CG 3.77Å; L159-P247 HydrophobicContact CB-CB 4.12Å; L159-P247 HydrophobicContact CD1-CB 4.25Å; L159-P247 VanDerWaalsContact CD1-O 3.31Å; L159-P247 WeakPolarHBondContact CD1-O 3.31Å; P247-A251 WeakPolarHBondContact O-CB 3.03Å; P247-A251 PolarHBondContact O-N 3.06Å; P247-W320 VanDerWaalsContact CD-CD1 3.47Å; P247-W320 HydrophobicContact CG-CD2 4.09Å; P247-W320 HydrophobicContact CG-CG 4.38Å; P247-W320 HydrophobicContact CG-CZ2 4.16Å |
| 248 | K | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 47.8 Ų | 47.8 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.5 | -43.7 | 177.8 | -178.9 | -177.1 | 177 | -175.7 | 0 | 111.5 | Y162 N246 A251 K252 | Y162-K248 HydrophobicContact CD1-CB 4.1Å; Y162-K248 HydrophobicContact CD1-CD 4.29Å; Y162-K248 HydrophobicContact CD1-CG 3.79Å; Y162-K248 HydrophobicContact CD2-CB 3.9Å; Y162-K248 HydrophobicContact CD2-CG 4.46Å; Y162-K248 HydrophobicContact CE1-CB 3.99Å; Y162-K248 HydrophobicContact CE1-CD 3.89Å; Y162-K248 HydrophobicContact CE1-CG 3.83Å; Y162-K248 HydrophobicContact CE2-CB 3.8Å; Y162-K248 HydrophobicContact CG-CB 4.06Å; Y162-K248 HydrophobicContact CG-CG 4.12Å; N246-K248 PolarHBondContact O-N 3.45Å; N246-K248 VanDerWaalsContact OD1-CB 3.29Å; N246-K248 WeakPolarHBondContact OD1-CB 3.4Å; N246-K248 PolarHBondContact OD1-N 3.09Å; N246-K248 VanDerWaalsContact OD1-N 3.09Å; K248-A251 PolarHBondContact O-N 2.89Å; K248-K252 PolarHBondContact O-N 2.9Å |
| 249 | E | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 175.7 | -67.5 | -50 | 119.8 | 0 | 0 | 111.8 | F244 N246 K252 Y253 | F244-E249 HydrophobicContact CB-CB 4.37Å; F244-E249 HydrophobicContact CD1-CB 4.42Å; N246-E249 PolarHBondContact O-N 2.76Å; N246-E249 PolarHBondContact OD1-N 2.79Å; E249-K252 WeakPolarHBondContact O-CB 3.3Å; E249-K252 PolarHBondContact O-N 3.35Å; E249-K252 IonicContact OE2-NZ 2.71Å; E249-Y253 PolarHBondContact O-N 2.74Å; E249-Y253 VanDerWaalsContact O-N 3.15Å |
| 250 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -50.6 | 169.3 | 173.8 | 62.1 | 0 | 0 | 0 | 110.9 | Y155 L159 I220 I239 V241 F244 N246 K252 Y253 L254 | Y155-L250 HydrophobicContact CE1-CD2 3.87Å; L159-L250 HydrophobicContact CD1-CD2 4.16Å; L159-L250 HydrophobicContact CD1-CG 4.31Å; L159-L250 HydrophobicContact CD2-CD2 4.38Å; I220-L250 HydrophobicContact CG2-CD1 4.41Å; I220-L250 HydrophobicContact CG2-CD2 3.9Å; I239-L250 HydrophobicContact CG2-CD1 3.76Å; V241-L250 HydrophobicContact CG1-CD2 4.18Å; F244-L250 HydrophobicContact CB-CB 4.16Å; F244-L250 HydrophobicContact CD1-CB 4.34Å; F244-L250 HydrophobicContact CD2-CB 4.06Å; F244-L250 HydrophobicContact CD2-CD1 3.71Å; F244-L250 HydrophobicContact CD2-CG 4.42Å; F244-L250 HydrophobicContact CE2-CD1 3.58Å; F244-L250 HydrophobicContact CG-CB 3.89Å; F244-L250 HydrophobicContact CG-CD1 4.29Å; F244-L250 HydrophobicContact CZ-CD1 4.03Å; N246-L250 PolarHBondContact O-N 3.37Å; L250-K252 VanDerWaalsContact C-N 3.26Å; L250-K252 PolarHBondContact O-N 3.24Å; L250-Y253 WeakPolarHBondContact O-CB 3.45Å; L250-Y253 PolarHBondContact O-N 2.76Å; L250-L254 HydrophobicContact CD1-CD1 4.32Å; L250-L254 HydrophobicContact CD1-CD2 4.16Å; L250-L254 HydrophobicContact CD1-CG 4.05Å; L250-L254 HydrophobicContact CG-CD1 4.18Å; L250-L254 HydrophobicContact CG-CG 4.28Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.68Å |
| 251 | A | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L159 Y162 I163 P247 K248 Y253 L254 K255 | L159-A251 HydrophobicContact CD1-CB 3.91Å; Y162-A251 VanDerWaalsContact CB-CB 3.4Å; Y162-A251 HydrophobicContact CG-CB 4.44Å; I163-A251 HydrophobicContact CB-CB 4.12Å; I163-A251 HydrophobicContact CG2-CB 3.94Å; P247-A251 WeakPolarHBondContact O-CB 3.03Å; P247-A251 PolarHBondContact O-N 3.06Å; K248-A251 PolarHBondContact O-N 2.89Å; A251-Y253 VanDerWaalsContact C-N 3.34Å; A251-L254 PolarHBondContact O-N 3.26Å; A251-K255 WeakPolarHBondContact O-CB 3.32Å; A251-K255 WeakPolarHBondContact O-CG 3.46Å; A251-K255 PolarHBondContact O-N 2.68Å |
| 252 | K | 98.8 | Very high | 98.2 | Very high | 139 Ų | 139 | 66.3 Ų | 66.3 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 173.9 | -179.4 | -178.4 | 173.7 | -172.6 | 0 | 111.3 | K248 E249 L250 K255 Y256 | K248-K252 PolarHBondContact O-N 2.9Å; E249-K252 WeakPolarHBondContact O-CB 3.3Å; E249-K252 PolarHBondContact O-N 3.35Å; E249-K252 IonicContact OE2-NZ 2.71Å; L250-K252 VanDerWaalsContact C-N 3.26Å; L250-K252 PolarHBondContact O-N 3.24Å; K252-K255 PolarHBondContact O-N 3.17Å; K252-Y256 PolarHBondContact O-N 2.82Å; K252-Y256 VanDerWaalsContact O-N 3.12Å |
| 253 | Y | 98.9 | Very high | 98.2 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 176.6 | -172.3 | -114.6 | 0 | 0 | 0 | 112.7 | I239 F244 E249 L250 A251 K255 Y256 L257 Y267 | I239-Y253 HydrophobicContact CD1-CD1 4.01Å; I239-Y253 HydrophobicContact CD1-CE1 3.75Å; I239-Y253 HydrophobicContact CG1-CE1 4.36Å; F244-Y253 VanDerWaalsContact CE1-CB 3.49Å; F244-Y253 AromaticContact CE1-CD1 3.93Å; F244-Y253 HydrophobicContact CE1-CD1 3.93Å; F244-Y253 AromaticContact CE1-CG 3.77Å; F244-Y253 HydrophobicContact CE1-CG 3.77Å; F244-Y253 AromaticContact CZ-CD1 3.51Å; F244-Y253 HydrophobicContact CZ-CD1 3.51Å; F244-Y253 HydrophobicContact CZ-CE1 4.22Å; F244-Y253 AromaticContact CZ-CG 3.87Å; F244-Y253 HydrophobicContact CZ-CG 3.87Å; E249-Y253 PolarHBondContact O-N 2.74Å; E249-Y253 VanDerWaalsContact O-N 3.15Å; L250-Y253 WeakPolarHBondContact O-CB 3.45Å; L250-Y253 PolarHBondContact O-N 2.76Å; A251-Y253 VanDerWaalsContact C-N 3.34Å; Y253-K255 VanDerWaalsContact C-N 3.32Å; Y253-K255 PolarHBondContact O-N 2.9Å; Y253-Y256 HydrophobicContact CD2-CD1 4.01Å; Y253-Y256 AromaticContact CE2-CD1 3.82Å; Y253-Y256 HydrophobicContact CE2-CD1 3.82Å; Y253-Y256 HydrophobicContact CE2-CE1 4.12Å; Y253-Y256 WeakPolarHBondContact O-CB 3.29Å; Y253-Y256 PolarHBondContact O-N 3.38Å; Y253-Y256 VanDerWaalsContact O-N 3.09Å; Y253-L257 HydrophobicContact CD1-CD1 4.02Å; Y253-L257 HydrophobicContact CD1-CG 4.47Å; Y253-L257 HydrophobicContact CE1-CD1 3.56Å; Y253-L257 HydrophobicContact CE1-CG 4.11Å; Y253-L257 PolarHBondContact O-N 3Å; Y253-Y267 WeakPolarHBondContact CE1-OH 3.45Å; Y253-Y267 PolarHBondContact OH-OH 2.72Å |
| 254 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.8 | -61.7 | -175.2 | 0 | 0 | 0 | 111.9 | V139 I163 F191 I220 I239 L250 A251 Y256 L257 D258 | V139-L254 HydrophobicContact CG2-CD1 4.18Å; I163-L254 HydrophobicContact CD1-CB 3.63Å; I163-L254 HydrophobicContact CD1-CD1 4.31Å; F191-L254 HydrophobicContact CD1-CD2 3.88Å; F191-L254 HydrophobicContact CD2-CB 4.41Å; F191-L254 HydrophobicContact CD2-CD2 4.49Å; F191-L254 HydrophobicContact CE1-CD2 3.94Å; F191-L254 HydrophobicContact CE2-CB 4.1Å; F191-L254 HydrophobicContact CG-CD2 4.18Å; F191-L254 HydrophobicContact CZ-CB 4.3Å; F191-L254 HydrophobicContact CZ-CD2 4.3Å; F191-L254 WeakPolarHBondContact CZ-O 3.05Å; I220-L254 HydrophobicContact CD1-CD1 4.49Å; I220-L254 HydrophobicContact CD1-CD2 3.56Å; I220-L254 HydrophobicContact CG1-CD1 4.44Å; I220-L254 HydrophobicContact CG1-CD2 4.36Å; I239-L254 HydrophobicContact CD1-CD2 3.88Å; L250-L254 HydrophobicContact CD1-CD1 4.32Å; L250-L254 HydrophobicContact CD1-CD2 4.16Å; L250-L254 HydrophobicContact CD1-CG 4.05Å; L250-L254 HydrophobicContact CG-CD1 4.18Å; L250-L254 HydrophobicContact CG-CG 4.28Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.68Å; A251-L254 PolarHBondContact O-N 3.26Å; L254-Y256 VanDerWaalsContact C-N 3.3Å; L254-Y256 PolarHBondContact O-N 3.2Å; L254-L257 PolarHBondContact O-N 3.03Å; L254-D258 VanDerWaalsContact O-CB 3.25Å; L254-D258 WeakPolarHBondContact O-CB 3.32Å; L254-D258 PolarHBondContact O-N 3.18Å |
| 255 | K | 98.8 | Very high | 98.1 | Very high | 98 Ų | 98 | 60 Ų | 60 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.7 | -31.5 | 173.8 | -75.7 | 176.1 | -179.5 | 176.7 | 0 | 113.6 | Y162 I163 A251 K252 Y253 K259 | Y162-K255 WeakPolarHBondContact O-CE 3.24Å; Y162-K255 PolarHBondContact O-NZ 2.85Å; I163-K255 HydrophobicContact CD1-CG 4.28Å; A251-K255 WeakPolarHBondContact O-CB 3.32Å; A251-K255 WeakPolarHBondContact O-CG 3.46Å; A251-K255 PolarHBondContact O-N 2.68Å; K252-K255 PolarHBondContact O-N 3.17Å; Y253-K255 VanDerWaalsContact C-N 3.32Å; Y253-K255 PolarHBondContact O-N 2.9Å; K255-K259 WeakPolarHBondContact O-CG 3.45Å; K255-K259 PolarHBondContact O-N 2.84Å |
| 256 | Y | 98.7 | Very high | 98.2 | Very high | 113 Ų | 113 | 58.9 Ų | 58.9 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -50.6 | 172.7 | 157.7 | -101.8 | 0 | 0 | 0 | 110.4 | K252 Y253 L254 D258 K259 N260 A263 | K252-Y256 PolarHBondContact O-N 2.82Å; K252-Y256 VanDerWaalsContact O-N 3.12Å; Y253-Y256 HydrophobicContact CD2-CD1 4.01Å; Y253-Y256 AromaticContact CE2-CD1 3.82Å; Y253-Y256 HydrophobicContact CE2-CD1 3.82Å; Y253-Y256 HydrophobicContact CE2-CE1 4.12Å; Y253-Y256 WeakPolarHBondContact O-CB 3.29Å; Y253-Y256 PolarHBondContact O-N 3.38Å; Y253-Y256 VanDerWaalsContact O-N 3.09Å; L254-Y256 VanDerWaalsContact C-N 3.3Å; L254-Y256 PolarHBondContact O-N 3.2Å; Y256-D258 VanDerWaalsContact C-N 3.31Å; Y256-D258 PolarHBondContact O-N 3.25Å; Y256-K259 PolarHBondContact O-N 2.91Å; Y256-N260 HydrophobicContact CE2-CB 4.16Å; Y256-N260 WeakPolarHBondContact O-CB 3.2Å; Y256-N260 PolarHBondContact O-N 2.9Å; Y256-N260 PolarHBondContact OH-ND2 3.43Å; Y256-N260 VanDerWaalsContact OH-ND2 3.13Å; Y256-A263 HydrophobicContact CE1-CB 3.93Å; Y256-A263 WeakPolarHBondContact OH-CB 3.01Å |
| 257 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 177.5 | -66.7 | 179.6 | 0 | 0 | 0 | 112.2 | F191 L218 I239 Y253 L254 K259 N260 A263 Y267 | F191-L257 HydrophobicContact CE1-CB 4.02Å; F191-L257 HydrophobicContact CE1-CD1 4.12Å; F191-L257 HydrophobicContact CZ-CB 3.8Å; L218-L257 HydrophobicContact CD2-CD1 4.01Å; I239-L257 HydrophobicContact CD1-CD1 3.58Å; Y253-L257 HydrophobicContact CD1-CD1 4.02Å; Y253-L257 HydrophobicContact CD1-CG 4.47Å; Y253-L257 HydrophobicContact CE1-CD1 3.56Å; Y253-L257 HydrophobicContact CE1-CG 4.11Å; Y253-L257 PolarHBondContact O-N 3Å; L254-L257 PolarHBondContact O-N 3.03Å; L257-K259 PolarHBondContact O-N 2.84Å; L257-N260 CarbonylContact O-C 3.48Å; L257-N260 PolarHBondContact O-N 3.5Å; L257-A263 HydrophobicContact CD2-CB 3.84Å; L257-Y267 HydrophobicContact CD1-CD2 4.43Å; L257-Y267 HydrophobicContact CD1-CE2 3.78Å; L257-Y267 HydrophobicContact CD2-CE2 4.01Å |
| 258 | D | 98.2 | Very high | 98.1 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -29.9 | 177.2 | -173.4 | 54.9 | 0 | 0 | 0 | 112.8 | K190 F191 L254 Y256 | K190-D258 WeakPolarHBondContact CD-OD1 3.46Å; K190-D258 PolarHBondContact NZ-O 2.93Å; K190-D258 IonicContact NZ-OD1 3.46Å; F191-D258 HydrophobicContact CE2-CB 4.18Å; F191-D258 HydrophobicContact CZ-CB 4.4Å; L254-D258 VanDerWaalsContact O-CB 3.25Å; L254-D258 WeakPolarHBondContact O-CB 3.32Å; L254-D258 PolarHBondContact O-N 3.18Å; Y256-D258 VanDerWaalsContact C-N 3.31Å; Y256-D258 PolarHBondContact O-N 3.25Å |
| 259 | K | 97.8 | Very high | 98 | Very high | 179 Ų | 179 | 54.2 Ų | 54.2 | 78% | 0.778 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -97.7 | -8.4 | 178.6 | -65.9 | 178.2 | -178.4 | -174.4 | 0 | 114.1 | K255 Y256 L257 | K255-K259 WeakPolarHBondContact O-CG 3.45Å; K255-K259 PolarHBondContact O-N 2.84Å; Y256-K259 PolarHBondContact O-N 2.91Å; L257-K259 PolarHBondContact O-N 2.84Å |
| 260 | N | 98.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -125 | 86.7 | -177 | -174.4 | -13.4 | 0 | 0 | 0 | 109.6 | Y256 L257 T262 A263 Y264 | Y256-N260 HydrophobicContact CE2-CB 4.16Å; Y256-N260 WeakPolarHBondContact O-CB 3.2Å; Y256-N260 PolarHBondContact O-N 2.9Å; Y256-N260 PolarHBondContact OH-ND2 3.43Å; Y256-N260 VanDerWaalsContact OH-ND2 3.13Å; L257-N260 CarbonylContact O-C 3.48Å; L257-N260 PolarHBondContact O-N 3.5Å; N260-T262 PolarHBondContact O-N 3.45Å; N260-T262 WeakPolarHBondContact OD1-CB 3.29Å; N260-T262 PolarHBondContact OD1-N 2.04Å; N260-A263 HydrophobicContact CB-CB 4.12Å; N260-A263 PolarHBondContact O-N 3.45Å; N260-A263 VanDerWaalsContact O-N 3.16Å; N260-A263 PolarHBondContact OD1-N 2.82Å; N260-A263 VanDerWaalsContact OD1-N 3.11Å; N260-Y264 PolarHBondContact O-N 3.31Å | ||
| 261 | D | 96.8 | Very high | 97.5 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -31.4 | -178.3 | -65.9 | -23.5 | 0 | 0 | 0 | 112.1 | A132 K190 Y264 N265 | A132-D261 HydrophobicContact CB-CB 3.94Å; A132-D261 VanDerWaalsContact CB-OD1 3.3Å; A132-D261 WeakPolarHBondContact CB-OD1 3.4Å; K190-D261 IonicContact NZ-OD1 3.9Å; K190-D261 PolarHBondContact NZ-OD1 3.28Å; D261-Y264 PolarHBondContact O-N 3.24Å; D261-N265 VanDerWaalsContact O-CB 3.28Å; D261-N265 WeakPolarHBondContact O-CB 3.26Å; D261-N265 PolarHBondContact O-N 2.88Å; D261-N265 PolarHBondContact O-ND2 3.2Å |
| 262 | T | 97 | Very high | 97.1 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.7 | -53 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | N260 Y264 N265 E266 | N260-T262 PolarHBondContact O-N 3.45Å; N260-T262 WeakPolarHBondContact OD1-CB 3.29Å; N260-T262 PolarHBondContact OD1-N 2.04Å; T262-Y264 VanDerWaalsContact C-N 3.33Å; T262-Y264 PolarHBondContact O-N 2.88Å; T262-N265 PolarHBondContact O-N 2.89Å; T262-E266 WeakPolarHBondContact O-CG 3.34Å; T262-E266 PolarHBondContact O-N 3.2Å |
| 263 | A | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y256 L257 N260 | Y256-A263 HydrophobicContact CE1-CB 3.93Å; Y256-A263 WeakPolarHBondContact OH-CB 3.01Å; L257-A263 HydrophobicContact CD2-CB 3.84Å; N260-A263 HydrophobicContact CB-CB 4.12Å; N260-A263 PolarHBondContact O-N 3.45Å; N260-A263 VanDerWaalsContact O-N 3.16Å; N260-A263 PolarHBondContact OD1-N 2.82Å; N260-A263 VanDerWaalsContact OD1-N 3.11Å |
| 264 | Y | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 173.6 | 174.6 | -93.9 | 0 | 0 | 0 | 111.8 | I131 A132 K190 F191 L218 N260 D261 T262 E266 Y267 F268 | I131-Y264 HydrophobicContact CB-CE1 4.18Å; I131-Y264 HydrophobicContact CG2-CE1 4.05Å; A132-Y264 HydrophobicContact CB-CD1 3.71Å; A132-Y264 HydrophobicContact CB-CE1 4.04Å; K190-Y264 HydrophobicContact CB-CD2 4.33Å; K190-Y264 HydrophobicContact CB-CE2 3.65Å; K190-Y264 HydrophobicContact CD-CD2 4.34Å; K190-Y264 HydrophobicContact CD-CE2 4.37Å; K190-Y264 HydrophobicContact CG-CE2 4.17Å; K190-Y264 WeakPolarHBondContact O-CE2 3.07Å; K190-Y264 PolarHBondContact O-OH 2.94Å; F191-Y264 HydrophobicContact CD1-CE2 4.35Å; F191-Y264 AromaticContact CE1-CD2 3.92Å; F191-Y264 HydrophobicContact CE1-CD2 3.92Å; F191-Y264 AromaticContact CE1-CE2 3.97Å; F191-Y264 HydrophobicContact CE1-CE2 3.97Å; F191-Y264 HydrophobicContact CZ-CD2 4.33Å; L218-Y264 HydrophobicContact CB-CE2 3.94Å; L218-Y264 HydrophobicContact CD2-CD2 4.44Å; L218-Y264 HydrophobicContact CD2-CE2 4.44Å; N260-Y264 PolarHBondContact O-N 3.31Å; D261-Y264 PolarHBondContact O-N 3.24Å; T262-Y264 VanDerWaalsContact C-N 3.33Å; T262-Y264 PolarHBondContact O-N 2.88Å; Y264-E266 VanDerWaalsContact C-N 3.27Å; Y264-E266 PolarHBondContact O-N 3.04Å; Y264-Y267 WeakPolarHBondContact O-CB 3.16Å; Y264-Y267 PolarHBondContact O-N 3.21Å; Y264-F268 HydrophobicContact CD1-CE2 4.21Å; Y264-F268 HydrophobicContact CE1-CD2 4.18Å; Y264-F268 AromaticContact CE1-CE2 3.56Å; Y264-F268 HydrophobicContact CE1-CE2 3.56Å; Y264-F268 HydrophobicContact CE1-CZ 4.34Å; Y264-F268 AromaticContact CE2-CE2 3.97Å; Y264-F268 HydrophobicContact CE2-CE2 3.97Å; Y264-F268 AromaticContact CZ-CE2 3.42Å; Y264-F268 VanDerWaalsContact CZ-CE2 3.42Å; Y264-F268 AromaticContact CZ-CZ 3.89Å; Y264-F268 WeakPolarHBondContact OH-CE2 3.26Å; Y264-F268 WeakPolarHBondContact OH-CZ 3.38Å |
| 265 | N | 97.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.8 | -21.5 | -178.4 | -79.8 | -60.8 | 0 | 0 | 0 | 113.7 | D130 I131 D261 T262 Y267 F268 | D130-N265 PolarHBondContact OD1-ND2 3.24Å; I131-N265 WeakPolarHBondContact CB-OD1 3.47Å; I131-N265 PolarHBondContact N-OD1 2.88Å; D261-N265 VanDerWaalsContact O-CB 3.28Å; D261-N265 WeakPolarHBondContact O-CB 3.26Å; D261-N265 PolarHBondContact O-N 2.88Å; D261-N265 PolarHBondContact O-ND2 3.2Å; T262-N265 PolarHBondContact O-N 2.89Å; N265-Y267 PolarHBondContact O-N 3.13Å; N265-F268 PolarHBondContact O-N 2.98Å |
| 266 | E | 96.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.3 | -33.7 | 173.6 | -75.4 | 173.3 | -179.6 | 0 | 0 | 112.3 | T262 Y264 F268 T269 | T262-E266 WeakPolarHBondContact O-CG 3.34Å; T262-E266 PolarHBondContact O-N 3.2Å; Y264-E266 VanDerWaalsContact C-N 3.27Å; Y264-E266 PolarHBondContact O-N 3.04Å; E266-F268 PolarHBondContact O-N 3.31Å; E266-F268 VanDerWaalsContact O-N 3.14Å; E266-T269 VanDerWaalsContact O-CG2 3.24Å; E266-T269 WeakPolarHBondContact O-CG2 3.34Å; E266-T269 PolarHBondContact O-N 3.05Å; E266-T269 PolarHBondContact O-OG1 3.22Å |
| 267 | Y | 98.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -10.8 | 176.4 | -76.9 | -84.5 | 0 | 0 | 0 | 114.9 | L218 H236 I239 Y253 L257 Y264 N265 W270 | L218-Y267 HydrophobicContact CD1-CD1 3.57Å; L218-Y267 HydrophobicContact CD1-CE1 4.24Å; L218-Y267 HydrophobicContact CD1-CG 3.76Å; L218-Y267 HydrophobicContact CD2-CD1 4.03Å; L218-Y267 HydrophobicContact CD2-CD2 3.65Å; L218-Y267 HydrophobicContact CD2-CE1 4.35Å; L218-Y267 HydrophobicContact CD2-CE2 4.01Å; L218-Y267 HydrophobicContact CD2-CG 3.65Å; L218-Y267 HydrophobicContact CG-CD1 4.48Å; L218-Y267 HydrophobicContact CG-CG 4.38Å; H236-Y267 AromaticContact CE1-CE1 3.74Å; H236-Y267 AromaticContact CE1-CZ 3.79Å; H236-Y267 AromaticContact NE2-CD1 3.96Å; H236-Y267 AromaticContact NE2-CE1 3.95Å; H236-Y267 AromaticContact NE2-CZ 4Å; H236-Y267 CarbonylContact O-C 3.58Å; H236-Y267 VanDerWaalsContact O-CA 3.27Å; H236-Y267 WeakPolarHBondContact O-CA 3.26Å; I239-Y267 HydrophobicContact CG1-CE1 3.92Å; Y253-Y267 WeakPolarHBondContact CE1-OH 3.45Å; Y253-Y267 PolarHBondContact OH-OH 2.72Å; L257-Y267 HydrophobicContact CD1-CD2 4.43Å; L257-Y267 HydrophobicContact CD1-CE2 3.78Å; L257-Y267 HydrophobicContact CD2-CE2 4.01Å; Y264-Y267 WeakPolarHBondContact O-CB 3.16Å; Y264-Y267 PolarHBondContact O-N 3.21Å; N265-Y267 PolarHBondContact O-N 3.13Å; Y267-W270 PolarHBondContact O-NE1 3.28Å |
| 268 | F | 96.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 8 | -178.4 | -62.8 | -87.2 | 0 | 0 | 0 | 112.9 | I131 L218 Y264 N265 E266 W270 H271 | I131-F268 HydrophobicContact CB-CD2 4.21Å; I131-F268 HydrophobicContact CB-CG 4.29Å; I131-F268 HydrophobicContact CG1-CB 3.88Å; I131-F268 HydrophobicContact CG1-CD1 4.35Å; I131-F268 HydrophobicContact CG1-CD2 4.3Å; I131-F268 HydrophobicContact CG1-CG 3.92Å; I131-F268 HydrophobicContact CG2-CD1 4.24Å; I131-F268 HydrophobicContact CG2-CD2 4.18Å; I131-F268 HydrophobicContact CG2-CE1 4.16Å; I131-F268 HydrophobicContact CG2-CE2 4.12Å; I131-F268 HydrophobicContact CG2-CG 4.23Å; I131-F268 HydrophobicContact CG2-CZ 4.09Å; L218-F268 HydrophobicContact CB-CE2 4.24Å; L218-F268 HydrophobicContact CB-CZ 4Å; Y264-F268 HydrophobicContact CD1-CE2 4.21Å; Y264-F268 HydrophobicContact CE1-CD2 4.18Å; Y264-F268 AromaticContact CE1-CE2 3.56Å; Y264-F268 HydrophobicContact CE1-CE2 3.56Å; Y264-F268 HydrophobicContact CE1-CZ 4.34Å; Y264-F268 AromaticContact CE2-CE2 3.97Å; Y264-F268 HydrophobicContact CE2-CE2 3.97Å; Y264-F268 AromaticContact CZ-CE2 3.42Å; Y264-F268 VanDerWaalsContact CZ-CE2 3.42Å; Y264-F268 AromaticContact CZ-CZ 3.89Å; Y264-F268 WeakPolarHBondContact OH-CE2 3.26Å; Y264-F268 WeakPolarHBondContact OH-CZ 3.38Å; N265-F268 PolarHBondContact O-N 2.98Å; E266-F268 PolarHBondContact O-N 3.31Å; E266-F268 VanDerWaalsContact O-N 3.14Å; F268-W270 PolarHBondContact O-N 2.78Å; F268-W270 VanDerWaalsContact O-N 3.08Å; F268-H271 AromaticContact CD1-CE1 3.73Å; F268-H271 AromaticContact CD1-NE2 3.73Å; F268-H271 WeakPolarHBondContact O-CB 3.16Å; F268-H271 PolarHBondContact O-N 3.3Å |
| 269 | T | 94.8 | Very high | 95.5 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -60.3 | -21.4 | 176.7 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | L128 E266 H271 | L128-T269 HydrophobicContact CD1-CG2 3.84Å; E266-T269 VanDerWaalsContact O-CG2 3.24Å; E266-T269 WeakPolarHBondContact O-CG2 3.34Å; E266-T269 PolarHBondContact O-N 3.05Å; E266-T269 PolarHBondContact O-OG1 3.22Å; T269-H271 PolarHBondContact O-N 2.9Å |
| 270 | W | 94.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.5 | -20.1 | 175.6 | 68.1 | -95.6 | 0 | 0 | 0 | 113.9 | Y110 L213 P234 Y267 F268 K272 K273 G274 V276 | Y110-W270 HydrophobicContact CD2-CE3 4.28Å; Y110-W270 AromaticContact CE2-CE3 3.98Å; Y110-W270 HydrophobicContact CE2-CE3 3.98Å; L213-W270 HydrophobicContact CB-CH2 4.34Å; L213-W270 HydrophobicContact CB-CZ2 4.09Å; L213-W270 HydrophobicContact CD2-CZ2 3.87Å; L213-W270 HydrophobicContact CG-CZ2 4.46Å; P234-W270 HydrophobicContact CB-CB 3.5Å; P234-W270 VanDerWaalsContact CB-CB 3.5Å; P234-W270 HydrophobicContact CB-CD2 3.48Å; P234-W270 VanDerWaalsContact CB-CD2 3.48Å; P234-W270 HydrophobicContact CB-CE3 3.84Å; P234-W270 HydrophobicContact CB-CG 3.32Å; P234-W270 HydrophobicContact CG-CD2 3.52Å; P234-W270 HydrophobicContact CG-CE3 3.66Å; P234-W270 HydrophobicContact CG-CG 3.93Å; P234-W270 HydrophobicContact CG-CH2 4.39Å; P234-W270 HydrophobicContact CG-CZ2 4.26Å; P234-W270 HydrophobicContact CG-CZ3 4.1Å; Y267-W270 PolarHBondContact O-NE1 3.28Å; F268-W270 PolarHBondContact O-N 2.78Å; F268-W270 VanDerWaalsContact O-N 3.08Å; W270-K272 PolarHBondContact O-N 3.36Å; W270-K273 PolarHBondContact O-N 3.44Å; W270-G274 PolarHBondContact O-N 3.3Å; W270-V276 HydrophobicContact CE3-CG2 4.42Å; W270-V276 HydrophobicContact CH2-CB 4.32Å; W270-V276 HydrophobicContact CH2-CG2 3.65Å; W270-V276 HydrophobicContact CZ2-CG2 4.5Å; W270-V276 HydrophobicContact CZ3-CB 4.37Å; W270-V276 HydrophobicContact CZ3-CG2 3.6Å |
| 271 | H | 93.5 | Very high | 94.7 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 30% | 0.296 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -55.6 | -19.4 | 176.8 | -75.2 | -178 | 0 | 0 | 0 | 113.9 | N216 F268 T269 | N216-H271 PolarHBondContact OD1-CE1 3.06Å; F268-H271 AromaticContact CD1-CE1 3.73Å; F268-H271 AromaticContact CD1-NE2 3.73Å; F268-H271 WeakPolarHBondContact O-CB 3.16Å; F268-H271 PolarHBondContact O-N 3.3Å; T269-H271 PolarHBondContact O-N 2.9Å |
| 272 | K | 89.6 | Confident | 94.6 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -97.8 | -3.5 | 178.3 | -67.5 | 175.7 | 170.8 | 174 | 0 | 114.6 | I126 L128 W270 | I126-K272 WeakPolarHBondContact O-CE 3.31Å; I126-K272 PolarHBondContact O-NZ 2.68Å; L128-K272 HydrophobicContact CD2-CD 3.99Å; L128-K272 HydrophobicContact CD2-CG 4.04Å; L128-K272 HydrophobicContact CG-CD 4.19Å; W270-K272 PolarHBondContact O-N 3.36Å |
| 273 | K | 91.6 | Very high | 94.5 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -2.9 | -164.8 | -58.7 | -179.6 | -176.8 | 173.7 | 0 | 112.5 | Y110 P112 D113 W270 | Y110-K273 WeakPolarHBondContact OH-CB 3.5Å; Y110-K273 PolarHBondContact OH-O 3.13Å; P112-K273 CarbonylContact C-O 3.55Å; P112-K273 WeakPolarHBondContact CA-O 3.32Å; D113-K273 PolarHBondContact N-O 3.21Å; W270-K273 PolarHBondContact O-N 3.44Å |
| 274 | G | 94.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | -177.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y110 T111 D113 W270 | Y110-G274 PolarHBondContact OH-N 2.9Å; T111-G274 CarbonylContact O-C 3.44Å; T111-G274 WeakPolarHBondContact O-CA 3.32Å; D113-G274 WeakPolarHBondContact OD1-CA 3.4Å; D113-G274 PolarHBondContact OD2-N 3.14Å; W270-G274 PolarHBondContact O-N 3.3Å |
| 275 | V | 95.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.8 | -175.8 | -64.5 | 0 | 0 | 0 | 0 | 111 | Y110 T111 T277 | Y110-V275 CarbonylContact C-O 3.45Å; Y110-V275 WeakPolarHBondContact CA-O 3.23Å; Y110-V275 WeakPolarHBondContact CD2-O 3.27Å; T111-V275 PolarHBondContact N-O 2.86Å; T111-V275 PolarHBondContact O-N 3.44Å; V275-T277 HydrophobicContact CG2-CG2 4.47Å |
| 276 | V | 97 | Very high | 94.3 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.7 | 168.7 | 169.5 | 0 | 0 | 0 | 0 | 108.2 | M109 Y110 F209 L213 M214 P234 W270 | M109-V276 WeakPolarHBondContact O-CA 3.42Å; Y110-V276 HydrophobicContact CD2-CG2 4.21Å; F209-V276 HydrophobicContact CB-CG1 3.98Å; F209-V276 HydrophobicContact CD1-CG1 3.88Å; F209-V276 HydrophobicContact CG-CG1 4.41Å; L213-V276 HydrophobicContact CB-CG2 4.49Å; L213-V276 HydrophobicContact CD1-CG2 4.04Å; M214-V276 HydrophobicContact CG-CB 4.48Å; M214-V276 HydrophobicContact CG-CG1 4.07Å; P234-V276 HydrophobicContact CG-CG2 3.77Å; W270-V276 HydrophobicContact CE3-CG2 4.42Å; W270-V276 HydrophobicContact CH2-CB 4.32Å; W270-V276 HydrophobicContact CH2-CG2 3.65Å; W270-V276 HydrophobicContact CZ2-CG2 4.5Å; W270-V276 HydrophobicContact CZ3-CB 4.37Å; W270-V276 HydrophobicContact CZ3-CG2 3.6Å |
| 277 | T | 95.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.8 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | G108 M109 V275 S280 | G108-T277 CarbonylContact C-O 3.57Å; G108-T277 WeakPolarHBondContact CA-O 3.23Å; M109-T277 PolarHBondContact N-O 2.81Å; M109-T277 PolarHBondContact O-N 3.28Å; V275-T277 HydrophobicContact CG2-CG2 4.47Å; T277-S280 WeakPolarHBondContact CB-OG 3.33Å; T277-S280 PolarHBondContact OG1-OG 3.3Å |
| 278 | V | 94.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135.9 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | Y107 F209 L210 M214 S280 | Y107-V278 CarbonylContact O-C 3.31Å; Y107-V278 VanDerWaalsContact O-CA 3.27Å; Y107-V278 WeakPolarHBondContact O-CA 3.34Å; Y107-V278 VanDerWaalsContact O-CG1 3.28Å; Y107-V278 WeakPolarHBondContact O-CG1 3.37Å; F209-V278 HydrophobicContact CB-CG2 3.36Å; F209-V278 HydrophobicContact CG-CG2 4.39Å; L210-V278 HydrophobicContact CB-CG1 4.41Å; L210-V278 HydrophobicContact CB-CG2 4.23Å; M214-V278 HydrophobicContact SD-CB 4.28Å; M214-V278 HydrophobicContact SD-CG2 3.5Å; M214-V278 WeakPolarHBondContact SD-CG2 3.41Å; V278-S280 PolarHBondContact O-N 3.44Å |
| 279 | W | 90.4 | Very high | 94.1 | Very high | 136 Ų | 136 | 47.4 Ų | 47.4 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 47.7 | 29.2 | -175.3 | -54.4 | -62.2 | 0 | 0 | 0 | 113.8 | Y107 E206 L210 F281 | Y107-W279 HydrophobicContact CD1-CZ2 4.35Å; Y107-W279 AromaticContact CD1-NE1 3.54Å; Y107-W279 PolarHBondContact O-N 2.94Å; E206-W279 HydrophobicContact CB-CH2 3.72Å; E206-W279 HydrophobicContact CB-CZ2 3.62Å; E206-W279 HydrophobicContact CG-CH2 4.13Å; E206-W279 HydrophobicContact CG-CZ2 4.08Å; L210-W279 HydrophobicContact CD2-CH2 3.85Å; L210-W279 HydrophobicContact CD2-CZ3 3.77Å; W279-F281 VanDerWaalsContact C-N 3.34Å |
| 280 | S | 87.9 | Confident | 94.1 | Very high | 61 Ų | 61 | 46 Ų | 46 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | trans | -79.8 | -19.4 | 178.9 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | T277 V278 | T277-S280 WeakPolarHBondContact CB-OG 3.33Å; T277-S280 PolarHBondContact OG1-OG 3.3Å; V278-S280 PolarHBondContact O-N 3.44Å | ||
| 281 | F | 90.5 | Very high | 94.1 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | trans | -67.4 | 140.8 | 174.4 | -169.4 | -100.6 | 0 | 0 | 0 | 110.4 | I103 R104 T105 W279 P283 E286 | I103-F281 HydrophobicContact CG2-CE1 3.93Å; I103-F281 HydrophobicContact CG2-CZ 3.79Å; R104-F281 VanDerWaalsContact O-CE1 3.3Å; R104-F281 WeakPolarHBondContact O-CE1 3.46Å; R104-F281 VanDerWaalsContact O-CE2 3.31Å; R104-F281 WeakPolarHBondContact O-CE2 3.49Å; R104-F281 WeakPolarHBondContact O-CZ 3.47Å; T105-F281 HydrophobicContact CG2-CD1 3.79Å; T105-F281 HydrophobicContact CG2-CE1 3.47Å; T105-F281 VanDerWaalsContact CG2-CE1 3.47Å; T105-F281 HydrophobicContact CG2-CZ 4.47Å; W279-F281 VanDerWaalsContact C-N 3.34Å; F281-P283 HydrophobicContact CD1-CB 4.49Å; F281-P283 HydrophobicContact CD1-CG 3.91Å; F281-P283 HydrophobicContact CE1-CB 4.4Å; F281-P283 HydrophobicContact CE1-CG 4.28Å; F281-P283 WeakPolarHBondContact O-CD 3.49Å; F281-E286 HydrophobicContact CE1-CG 4.03Å; F281-E286 HydrophobicContact CE2-CG 4.16Å; F281-E286 HydrophobicContact CZ-CB 4.38Å; F281-E286 HydrophobicContact CZ-CG 3.52Å | ||
| 282 | K | 94.1 | Very high | 94.1 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | trans | -112.4 | 81.3 | -179 | -66 | -171.4 | 178.5 | -173.9 | 0 | 111 | E284 C285 E286 | K282-E284 WeakPolarHBondContact CA-OE2 3.15Å; K282-E284 PolarHBondContact O-N 3.18Å; K282-E284 VanDerWaalsContact O-N 3.14Å; K282-C285 HydrophobicContact CB-CB 4.23Å; K282-C285 PolarHBondContact O-N 2.71Å; K282-C285 VanDerWaalsContact O-N 3.07Å; K282-E286 PolarHBondContact O-N 2.9Å | ||
| 283 | P | 95.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.6 | -35.1 | -179.7 | -19.6 | 25.5 | 0 | 0 | 0 | 113.1 | M25 F73 Y75 T105 F281 C285 E286 F287 | M25-P283 HydrophobicContact CG-CB 4.28Å; M25-P283 HydrophobicContact CG-CG 4.43Å; M25-P283 HydrophobicContact SD-CB 4.05Å; F73-P283 HydrophobicContact CZ-CB 4.03Å; F73-P283 HydrophobicContact CZ-CG 4.15Å; Y75-P283 VanDerWaalsContact OH-CG 3.32Å; Y75-P283 WeakPolarHBondContact OH-CG 3.37Å; T105-P283 HydrophobicContact CG2-CB 4.18Å; T105-P283 HydrophobicContact CG2-CG 4.05Å; F281-P283 HydrophobicContact CD1-CB 4.49Å; F281-P283 HydrophobicContact CD1-CG 3.91Å; F281-P283 HydrophobicContact CE1-CB 4.4Å; F281-P283 HydrophobicContact CE1-CG 4.28Å; F281-P283 WeakPolarHBondContact O-CD 3.49Å; P283-C285 VanDerWaalsContact C-N 3.29Å; P283-C285 PolarHBondContact O-N 3.04Å; P283-E286 PolarHBondContact O-N 3.02Å; P283-F287 HydrophobicContact CB-CD2 4.07Å; P283-F287 HydrophobicContact CB-CE2 3.5Å; P283-F287 VanDerWaalsContact CB-CE2 3.5Å; P283-F287 HydrophobicContact CB-CZ 4.03Å; P283-F287 WeakPolarHBondContact O-CB 3.35Å; P283-F287 WeakPolarHBondContact O-CD2 3.26Å; P283-F287 WeakPolarHBondContact O-CG 3.49Å; P283-F287 PolarHBondContact O-N 3.36Å |
| 284 | E | 96.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -37.4 | 179.7 | 70.7 | -79.7 | -164.2 | 0 | 0 | 113.3 | M25 N26 V29 I39 K282 C288 | M25-E284 HydrophobicContact CE-CB 4.45Å; N26-E284 HydrophobicContact CB-CG 4.34Å; N26-E284 PolarHBondContact ND2-OE1 2.77Å; N26-E284 VanDerWaalsContact O-CB 3.31Å; N26-E284 WeakPolarHBondContact O-CB 2.99Å; V29-E284 HydrophobicContact CG1-CB 4.28Å; V29-E284 HydrophobicContact CG1-CG 4.5Å; I39-E284 HydrophobicContact CD1-CB 3.7Å; K282-E284 WeakPolarHBondContact CA-OE2 3.15Å; K282-E284 PolarHBondContact O-N 3.18Å; K282-E284 VanDerWaalsContact O-N 3.14Å; E284-C288 PolarHBondContact O-N 2.72Å; E284-C288 VanDerWaalsContact O-N 3.16Å |
| 285 | C | 96.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.6 | -42.1 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | C32 K282 P283 C288 I289 | C32-C285 VanDerWaalsContact CA-SG 3.56Å; C32-C285 HydrophobicContact CB-CB 3.66Å; C32-C285 WeakPolarHBondContact CB-SG 3.39Å; C32-C285 WeakPolarHBondContact SG-CA 3.21Å; C32-C285 WeakPolarHBondContact SG-CB 3.27Å; C32-C285 CovalentContact SG-SG 2.04Å; C32-C285 PolarHBondContact SG-SG 2.79Å; K282-C285 HydrophobicContact CB-CB 4.23Å; K282-C285 PolarHBondContact O-N 2.71Å; K282-C285 VanDerWaalsContact O-N 3.07Å; P283-C285 VanDerWaalsContact C-N 3.29Å; P283-C285 PolarHBondContact O-N 3.04Å; C285-C288 PolarHBondContact O-N 2.79Å; C285-I289 WeakPolarHBondContact O-CG1 3.42Å; C285-I289 PolarHBondContact O-N 2.9Å |
| 286 | E | 95.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 40.2 Ų | 40.2 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.6 | -38.8 | 179.5 | -62.9 | -65.1 | 162.3 | 0 | 0 | 112.3 | I103 F281 K282 P283 C288 I289 L290 | I103-E286 HydrophobicContact CD1-CB 4.14Å; I103-E286 HydrophobicContact CG2-CB 3.85Å; I103-E286 HydrophobicContact CG2-CG 4.31Å; F281-E286 HydrophobicContact CE1-CG 4.03Å; F281-E286 HydrophobicContact CE2-CG 4.16Å; F281-E286 HydrophobicContact CZ-CB 4.38Å; F281-E286 HydrophobicContact CZ-CG 3.52Å; K282-E286 PolarHBondContact O-N 2.9Å; P283-E286 PolarHBondContact O-N 3.02Å; E286-C288 VanDerWaalsContact C-N 3.3Å; E286-C288 PolarHBondContact O-N 2.84Å; E286-I289 PolarHBondContact O-N 3.16Å; E286-L290 WeakPolarHBondContact O-CB 3.38Å; E286-L290 PolarHBondContact O-N 3.05Å |
| 287 | F | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 173.6 | -63.1 | -39.9 | 0 | 0 | 0 | 112 | I15 M25 L51 L53 V71 F73 A95 I103 P283 L290 A291 | I15-F287 HydrophobicContact CD1-CB 4.08Å; M25-F287 HydrophobicContact CE-CD2 4.35Å; M25-F287 HydrophobicContact SD-CD2 3.77Å; M25-F287 HydrophobicContact SD-CE2 3.5Å; M25-F287 WeakPolarHBondContact SD-CE2 3.42Å; L51-F287 HydrophobicContact CD2-CB 4.14Å; L51-F287 HydrophobicContact CD2-CD1 4.48Å; L53-F287 HydrophobicContact CD1-CD2 3.57Å; L53-F287 HydrophobicContact CD1-CE2 3.63Å; L53-F287 HydrophobicContact CD1-CG 4.19Å; L53-F287 HydrophobicContact CD1-CZ 4.29Å; L53-F287 HydrophobicContact CD2-CD1 3.83Å; L53-F287 HydrophobicContact CD2-CD2 4.09Å; L53-F287 HydrophobicContact CD2-CE1 3.91Å; L53-F287 HydrophobicContact CD2-CE2 4.15Å; L53-F287 HydrophobicContact CD2-CG 3.94Å; L53-F287 HydrophobicContact CD2-CZ 4.07Å; L53-F287 HydrophobicContact CG-CD2 4.5Å; V71-F287 HydrophobicContact CG1-CE1 4.11Å; F73-F287 HydrophobicContact CB-CZ 4.38Å; F73-F287 AromaticContact CD1-CE2 3.85Å; F73-F287 HydrophobicContact CD1-CE2 3.85Å; F73-F287 AromaticContact CD1-CZ 3.81Å; F73-F287 HydrophobicContact CD1-CZ 3.81Å; F73-F287 AromaticContact CD2-CZ 3.89Å; F73-F287 HydrophobicContact CD2-CZ 3.89Å; F73-F287 AromaticContact CE1-CE2 3.66Å; F73-F287 HydrophobicContact CE1-CE2 3.66Å; F73-F287 AromaticContact CE1-CZ 3.95Å; F73-F287 HydrophobicContact CE1-CZ 3.95Å; F73-F287 HydrophobicContact CE2-CE2 4.44Å; F73-F287 HydrophobicContact CE2-CZ 4.08Å; F73-F287 HydrophobicContact CG-CE2 4.28Å; F73-F287 AromaticContact CG-CZ 3.76Å; F73-F287 HydrophobicContact CG-CZ 3.76Å; F73-F287 HydrophobicContact CZ-CE2 4.01Å; F73-F287 HydrophobicContact CZ-CZ 4.1Å; A95-F287 HydrophobicContact CB-CE1 3.68Å; A95-F287 HydrophobicContact CB-CZ 3.78Å; I103-F287 HydrophobicContact CD1-CD1 3.62Å; I103-F287 HydrophobicContact CD1-CE1 3.76Å; P283-F287 HydrophobicContact CB-CD2 4.07Å; P283-F287 HydrophobicContact CB-CE2 3.5Å; P283-F287 VanDerWaalsContact CB-CE2 3.5Å; P283-F287 HydrophobicContact CB-CZ 4.03Å; P283-F287 WeakPolarHBondContact O-CB 3.35Å; P283-F287 WeakPolarHBondContact O-CD2 3.26Å; P283-F287 WeakPolarHBondContact O-CG 3.49Å; P283-F287 PolarHBondContact O-N 3.36Å; F287-L290 PolarHBondContact O-N 2.98Å; F287-A291 WeakPolarHBondContact O-CB 3.43Å; F287-A291 PolarHBondContact O-N 3.04Å |
| 288 | C | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | 175.3 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | V29 V34 C37 E284 C285 E286 A291 N292 | V29-C288 HydrophobicContact CG1-CB 4.38Å; V34-C288 PolarHBondContact O-SG 3.17Å; V34-C288 VanDerWaalsContact O-SG 3.35Å; C37-C288 HydrophobicContact CB-CB 3.78Å; C37-C288 WeakPolarHBondContact CB-SG 3.49Å; C37-C288 WeakPolarHBondContact SG-CA 3.06Å; C37-C288 WeakPolarHBondContact SG-CB 3.39Å; C37-C288 CovalentContact SG-SG 2.04Å; C37-C288 PolarHBondContact SG-SG 2.62Å; E284-C288 PolarHBondContact O-N 2.72Å; E284-C288 VanDerWaalsContact O-N 3.16Å; C285-C288 PolarHBondContact O-N 2.79Å; E286-C288 VanDerWaalsContact C-N 3.3Å; E286-C288 PolarHBondContact O-N 2.84Å; C288-A291 PolarHBondContact O-N 3.02Å; C288-N292 PolarHBondContact O-N 2.9Å; C288-N292 VanDerWaalsContact O-N 3.13Å; C288-N292 PolarHBondContact O-ND2 3.29Å |
| 289 | I | 95.1 | Very high | 89.6 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 28% | 0.282 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 171.5 | -68.7 | 166.2 | 0 | 0 | 0 | 110.2 | V34 C285 E286 A291 N292 A293 | V34-I289 HydrophobicContact CB-CG1 3.92Å; V34-I289 HydrophobicContact CG2-CG1 3.77Å; C285-I289 WeakPolarHBondContact O-CG1 3.42Å; C285-I289 PolarHBondContact O-N 2.9Å; E286-I289 PolarHBondContact O-N 3.16Å; I289-A291 PolarHBondContact O-N 3.42Å; I289-N292 PolarHBondContact O-N 2.88Å; I289-A293 WeakPolarHBondContact O-CB 3.35Å; I289-A293 PolarHBondContact O-N 2.98Å |
| 290 | L | 94.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -46 | 178.6 | 178.6 | 61.3 | 0 | 0 | 0 | 111.7 | L51 V71 F93 I103 E286 F287 N292 A293 L294 | L51-L290 HydrophobicContact CD1-CD2 4.14Å; L51-L290 HydrophobicContact CD1-CG 4.38Å; L51-L290 HydrophobicContact CD2-CD2 4.2Å; V71-L290 HydrophobicContact CG2-CD2 3.93Å; F93-L290 HydrophobicContact CB-CD2 4.2Å; F93-L290 HydrophobicContact CD1-CD1 4.38Å; F93-L290 HydrophobicContact CD2-CD1 4.08Å; F93-L290 HydrophobicContact CD2-CD2 3.82Å; F93-L290 HydrophobicContact CD2-CG 4.33Å; F93-L290 HydrophobicContact CE1-CD1 4.23Å; F93-L290 HydrophobicContact CE2-CD1 3.93Å; F93-L290 HydrophobicContact CE2-CD2 4.41Å; F93-L290 HydrophobicContact CE2-CG 4.44Å; F93-L290 HydrophobicContact CG-CD1 4.29Å; F93-L290 HydrophobicContact CG-CD2 4.04Å; F93-L290 HydrophobicContact CZ-CD1 4Å; I103-L290 HydrophobicContact CD1-CB 4.18Å; I103-L290 HydrophobicContact CD1-CD2 3.72Å; E286-L290 WeakPolarHBondContact O-CB 3.38Å; E286-L290 PolarHBondContact O-N 3.05Å; F287-L290 PolarHBondContact O-N 2.98Å; L290-N292 VanDerWaalsContact C-N 3.33Å; L290-N292 PolarHBondContact O-N 2.68Å; L290-A293 CarbonylContact O-C 3.55Å; L290-A293 PolarHBondContact O-N 3.44Å; L290-L294 HydrophobicContact CD1-CD2 4.49Å; L290-L294 WeakPolarHBondContact O-CG 3.37Å; L290-L294 PolarHBondContact O-N 3.35Å |
| 291 | A | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y13 I15 L51 F287 C288 I289 A293 L294 | Y13-A291 HydrophobicContact CD1-CB 4.02Å; Y13-A291 VanDerWaalsContact CD1-O 3.31Å; Y13-A291 WeakPolarHBondContact CD1-O 3.45Å; Y13-A291 WeakPolarHBondContact CE1-O 3.25Å; Y13-A291 HydrophobicContact CG-CB 4.17Å; I15-A291 HydrophobicContact CD1-CB 4.05Å; I15-A291 HydrophobicContact CG1-CB 4.28Å; L51-A291 HydrophobicContact CB-CB 4.46Å; F287-A291 WeakPolarHBondContact O-CB 3.43Å; F287-A291 PolarHBondContact O-N 3.04Å; C288-A291 PolarHBondContact O-N 3.02Å; I289-A291 PolarHBondContact O-N 3.42Å; A291-A293 PolarHBondContact O-N 3.41Å; A291-L294 WeakPolarHBondContact O-CG 3.28Å; A291-L294 PolarHBondContact O-N 3.26Å |
| 292 | N | 94.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -29.7 | 175.1 | -84.1 | -91.7 | 0 | 0 | 0 | 112.8 | L5 L7 Y13 V34 N36 C288 I289 L290 P295 | L5-N292 HydrophobicContact CD2-CB 4.17Å; L7-N292 HydrophobicContact CD2-CB 3.86Å; Y13-N292 HydrophobicContact CE2-CB 4.38Å; Y13-N292 WeakPolarHBondContact CE2-OD1 3.43Å; V34-N292 VanDerWaalsContact CG1-ND2 3.32Å; V34-N292 WeakPolarHBondContact CG1-ND2 3.44Å; N36-N292 PolarHBondContact ND2-OD1 2.76Å; N36-N292 PolarHBondContact OD1-ND2 3.09Å; N36-N292 PolarHBondContact OD1-OD1 3.04Å; C288-N292 PolarHBondContact O-N 2.9Å; C288-N292 VanDerWaalsContact O-N 3.13Å; C288-N292 PolarHBondContact O-ND2 3.29Å; I289-N292 PolarHBondContact O-N 2.88Å; L290-N292 VanDerWaalsContact C-N 3.33Å; L290-N292 PolarHBondContact O-N 2.68Å; N292-P295 WeakPolarHBondContact O-CD 3.31Å |
| 293 | A | 92.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -89.1 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L5 I289 L290 A291 P295 Y296 F297 | L5-A293 HydrophobicContact CD1-CB 3.94Å; L5-A293 HydrophobicContact CD2-CB 4.26Å; I289-A293 WeakPolarHBondContact O-CB 3.35Å; I289-A293 PolarHBondContact O-N 2.98Å; L290-A293 CarbonylContact O-C 3.55Å; L290-A293 PolarHBondContact O-N 3.44Å; A291-A293 PolarHBondContact O-N 3.41Å; A293-P295 VanDerWaalsContact C-N 3.29Å; A293-P295 VanDerWaalsContact O-N 3.15Å; A293-Y296 PolarHBondContact O-N 2.89Å; A293-F297 HydrophobicContact CB-CD2 3.59Å; A293-F297 HydrophobicContact CB-CE2 3.4Å; A293-F297 VanDerWaalsContact CB-CE2 3.4Å; A293-F297 VanDerWaalsContact O-CD2 3.28Å; A293-F297 WeakPolarHBondContact O-CD2 3.03Å; A293-F297 PolarHBondContact O-N 2.89Å |
| 294 | L | 90.8 | Very high | 85.5 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -39.7 | 178.6 | -65.5 | -180 | 0 | 0 | 0 | 114.7 | D50 L51 A69 F93 L290 A291 Y296 F297 | D50-L294 HydrophobicContact CB-CD1 4.32Å; D50-L294 WeakPolarHBondContact O-CD1 3.2Å; L51-L294 HydrophobicContact CD1-CD1 4.34Å; L51-L294 HydrophobicContact CD1-CD2 4.29Å; A69-L294 HydrophobicContact CB-CD1 4.15Å; A69-L294 HydrophobicContact CB-CD2 3.56Å; F93-L294 HydrophobicContact CE2-CD2 3.56Å; F93-L294 HydrophobicContact CZ-CD2 4.15Å; L290-L294 HydrophobicContact CD1-CD2 4.49Å; L290-L294 WeakPolarHBondContact O-CG 3.37Å; L290-L294 PolarHBondContact O-N 3.35Å; A291-L294 WeakPolarHBondContact O-CG 3.28Å; A291-L294 PolarHBondContact O-N 3.26Å; L294-Y296 PolarHBondContact O-N 3.33Å; L294-F297 PolarHBondContact O-N 3.23Å; L294-F297 VanDerWaalsContact O-O 3.05Å |
| 295 | P | 87.3 | Confident | 85.4 | Confident | 87 Ų | 87 | 57 Ų | 57 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.7 | 178.1 | -23.2 | 35.9 | 0 | 0 | 0 | 114.4 | N292 A293 | N292-P295 WeakPolarHBondContact O-CD 3.31Å; A293-P295 VanDerWaalsContact C-N 3.29Å; A293-P295 VanDerWaalsContact O-N 3.15Å |
| 296 | Y | 85.3 | Confident | 85.3 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -17.2 | -175.8 | -54.5 | -74.9 | 0 | 0 | 0 | 113.1 | L5 L6 A293 L294 | L5-Y296 HydrophobicContact CD1-CD2 3.49Å; L5-Y296 VanDerWaalsContact CD1-CD2 3.49Å; L5-Y296 HydrophobicContact CD1-CE2 3.57Å; L5-Y296 HydrophobicContact CD1-CG 4.46Å; L6-Y296 PolarHBondContact O-OH 3.02Å; A293-Y296 PolarHBondContact O-N 2.89Å; L294-Y296 PolarHBondContact O-N 3.33Å |
| 297 | F | 75.1 | Confident | 85.2 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 52% | 0.518 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -107.8 | 124.3 | 178.8 | -66.2 | -66.3 | 0 | 0 | 0 | 110 | A293 L294 P299 | A293-F297 HydrophobicContact CB-CD2 3.59Å; A293-F297 HydrophobicContact CB-CE2 3.4Å; A293-F297 VanDerWaalsContact CB-CE2 3.4Å; A293-F297 VanDerWaalsContact O-CD2 3.28Å; A293-F297 WeakPolarHBondContact O-CD2 3.03Å; A293-F297 PolarHBondContact O-N 2.89Å; L294-F297 PolarHBondContact O-N 3.23Å; L294-F297 VanDerWaalsContact O-O 3.05Å; F297-P299 WeakPolarHBondContact O-CD 3.4Å |
| 298 | K | 69.2 | Low | 85 | Confident | 192 Ų | 192 | 61.3 Ų | 61.3 | 84% | 0.835 | 30% | 0.299 | S | S | * | . | trans | -69.8 | 122.4 | 162.4 | -168.9 | 177.2 | -177.9 | -176.9 | 0 | 106.8 | T300 | K298-T300 PolarHBondContact O-N 3.45Å; K298-T300 VanDerWaalsContact O-N 3.08Å | ||
| 299 | P | 63.3 | Low | 84.9 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | trans | -57.4 | 119.6 | 178 | -22.8 | 32.7 | 0 | 0 | 0 | 110 | N92 F297 I301 | N92-P299 HydrophobicContact CB-CB 3.81Å; N92-P299 WeakPolarHBondContact ND2-CB 3.33Å; F297-P299 WeakPolarHBondContact O-CD 3.4Å; P299-I301 VanDerWaalsContact C-N 3.32Å; P299-I301 PolarHBondContact O-N 3.44Å | ||
| 300 | T | 65.5 | Low | 84.9 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | trans | -73.4 | 93 | 168.7 | 44 | 0 | 0 | 0 | 0 | 106.6 | K298 H302 | K298-T300 PolarHBondContact O-N 3.45Å; K298-T300 VanDerWaalsContact O-N 3.08Å; T300-H302 PolarHBondContact O-N 3.19Å | ||
| 301 | I | 69.2 | Low | 84.9 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | trans | -55.8 | 117.3 | 171.7 | -66 | 175.1 | 0 | 0 | 0 | 106.8 | D89 P299 E303 | D89-I301 HydrophobicContact CB-CG2 4.25Å; D89-I301 WeakPolarHBondContact O-CG2 3.04Å; P299-I301 VanDerWaalsContact C-N 3.32Å; P299-I301 PolarHBondContact O-N 3.44Å; I301-E303 VanDerWaalsContact C-N 3.26Å; I301-E303 HydrophobicContact CG2-CG 4.48Å; I301-E303 PolarHBondContact O-N 3.17Å | ||
| 302 | H | 74.5 | Confident | 84.9 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | trans | -75.6 | 87 | 172.5 | -78.7 | -85.5 | 0 | 0 | 0 | 107.2 | I91 T300 N304 F305 | I91-H302 PolarHBondContact O-N 2.73Å; T300-H302 PolarHBondContact O-N 3.19Å; H302-N304 PolarHBondContact O-N 2.97Å; H302-N304 VanDerWaalsContact O-N 3.13Å; H302-F305 HydrophobicContact CB-CB 4.01Å; H302-F305 PolarHBondContact O-N 3.16Å; H302-F305 VanDerWaalsContact O-N 3.1Å | ||
| 303 | E | 74.7 | Confident | 85.1 | Confident | 128 Ų | 128 | 67 Ų | 67 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -43.6 | -174.3 | -67.9 | -178.1 | 173.2 | 0 | 0 | 110.9 | D89 I301 | D89-E303 PolarHBondContact N-O 3.37Å; D89-E303 WeakPolarHBondContact OD1-CA 3.02Å; D89-E303 WeakPolarHBondContact OD1-CB 3.17Å; D89-E303 VanDerWaalsContact OD1-O 3.12Å; I301-E303 VanDerWaalsContact C-N 3.26Å; I301-E303 HydrophobicContact CG2-CG 4.48Å; I301-E303 PolarHBondContact O-N 3.17Å |
| 304 | N | 88.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 52.9 | 177.7 | -64.3 | -65.9 | 0 | 0 | 0 | 112.7 | H302 M306 F307 W308 | H302-N304 PolarHBondContact O-N 2.97Å; H302-N304 VanDerWaalsContact O-N 3.13Å; N304-M306 VanDerWaalsContact C-N 3.3Å; N304-M306 PolarHBondContact O-N 3.28Å; N304-F307 HydrophobicContact CB-CB 3.75Å; N304-F307 WeakPolarHBondContact O-CB 3.17Å; N304-F307 PolarHBondContact O-N 3.47Å; N304-F307 VanDerWaalsContact O-N 3.09Å; N304-W308 PolarHBondContact O-N 3.1Å |
| 305 | F | 93.5 | Very high | 85.3 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.009 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -48.4 | -49.1 | 177.8 | 167.2 | -106.9 | 0 | 0 | 0 | 112.8 | A72 F83 L87 N88 I91 T94 H302 F307 W308 W309 | A72-F305 HydrophobicContact CB-CD2 4.22Å; A72-F305 HydrophobicContact CB-CE1 4.13Å; A72-F305 HydrophobicContact CB-CE2 3.35Å; A72-F305 HydrophobicContact CB-CZ 3.3Å; F83-F305 HydrophobicContact CB-CE1 4.08Å; F83-F305 HydrophobicContact CD1-CE1 4.28Å; F83-F305 HydrophobicContact CD1-CZ 4.48Å; F83-F305 AromaticContact CD2-CE1 3.98Å; F83-F305 HydrophobicContact CD2-CE1 3.98Å; F83-F305 AromaticContact CD2-CZ 3.83Å; F83-F305 HydrophobicContact CD2-CZ 3.83Å; F83-F305 HydrophobicContact CE2-CE1 4.49Å; F83-F305 AromaticContact CE2-CZ 3.92Å; F83-F305 HydrophobicContact CE2-CZ 3.92Å; F83-F305 AromaticContact CG-CE1 3.86Å; F83-F305 HydrophobicContact CG-CE1 3.86Å; F83-F305 HydrophobicContact CG-CZ 4.12Å; F83-F305 HydrophobicContact CZ-CZ 4.3Å; L87-F305 HydrophobicContact CB-CD1 4.25Å; N88-F305 PolarHBondContact OD1-N 3.2Å; I91-F305 HydrophobicContact CB-CB 4.2Å; I91-F305 HydrophobicContact CB-CD2 4.22Å; I91-F305 HydrophobicContact CB-CG 4.09Å; I91-F305 HydrophobicContact CG1-CB 4.22Å; I91-F305 HydrophobicContact CG1-CD1 3.86Å; I91-F305 HydrophobicContact CG1-CD2 4.15Å; I91-F305 HydrophobicContact CG1-CE1 4.3Å; I91-F305 HydrophobicContact CG1-CG 3.78Å; I91-F305 HydrophobicContact CG2-CD2 4.03Å; I91-F305 HydrophobicContact CG2-CE2 4.47Å; I91-F305 HydrophobicContact CG2-CG 4.41Å; T94-F305 HydrophobicContact CG2-CD2 3.94Å; T94-F305 HydrophobicContact CG2-CE2 3.89Å; H302-F305 HydrophobicContact CB-CB 4.01Å; H302-F305 PolarHBondContact O-N 3.16Å; H302-F305 VanDerWaalsContact O-N 3.1Å; F305-F307 VanDerWaalsContact C-N 3.34Å; F305-F307 PolarHBondContact O-N 3.18Å; F305-W308 AromaticContact CD2-CE3 3.93Å; F305-W308 HydrophobicContact CD2-CE3 3.93Å; F305-W308 HydrophobicContact CD2-CZ3 4.19Å; F305-W308 AromaticContact CE2-CE3 3.92Å; F305-W308 HydrophobicContact CE2-CE3 3.92Å; F305-W308 AromaticContact CE2-CZ3 3.75Å; F305-W308 HydrophobicContact CE2-CZ3 3.75Å; F305-W308 WeakPolarHBondContact O-CB 3.45Å; F305-W308 PolarHBondContact O-N 3.36Å; F305-W309 HydrophobicContact CE2-CB 4.49Å; F305-W309 HydrophobicContact CZ-CB 4.39Å; F305-W309 HydrophobicContact CZ-CG 4.42Å; F305-W309 WeakPolarHBondContact O-CB 3.47Å; F305-W309 PolarHBondContact O-N 3.05Å |
| 306 | M | 94.1 | Very high | 85.7 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.1 | -32.1 | -178.6 | -71.2 | -55.9 | -65.7 | 0 | 0 | 113.1 | F83 D85 N88 N304 K310 | F83-M306 HydrophobicContact CB-CE 3.9Å; F83-M306 HydrophobicContact CB-SD 3.42Å; F83-M306 WeakPolarHBondContact CB-SD 3.44Å; F83-M306 HydrophobicContact CG-SD 4.42Å; D85-M306 WeakPolarHBondContact OD1-CB 3.35Å; D85-M306 WeakPolarHBondContact OD1-CG 3.39Å; N88-M306 VanDerWaalsContact OD1-CB 3.27Å; N88-M306 WeakPolarHBondContact OD1-CB 3.29Å; N88-M306 WeakPolarHBondContact OD1-CG 3.4Å; N88-M306 PolarHBondContact OD1-N 3.09Å; N304-M306 VanDerWaalsContact C-N 3.3Å; N304-M306 PolarHBondContact O-N 3.28Å; M306-K310 HydrophobicContact CE-CD 4.1Å; M306-K310 VanDerWaalsContact CE-CE 3.43Å; M306-K310 HydrophobicContact CE-CG 4.3Å; M306-K310 VanDerWaalsContact O-CB 3.23Å; M306-K310 WeakPolarHBondContact O-CB 3.42Å; M306-K310 WeakPolarHBondContact O-CG 3.46Å; M306-K310 PolarHBondContact O-N 2.85Å |
| 307 | F | 93.6 | Very high | 86.1 | Confident | 128 Ų | 128 | 76.7 Ų | 76.7 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64 | -52.5 | 171.1 | 176.3 | -96.4 | 0 | 0 | 0 | 109.9 | N304 F305 W309 K310 N311 | N304-F307 HydrophobicContact CB-CB 3.75Å; N304-F307 WeakPolarHBondContact O-CB 3.17Å; N304-F307 PolarHBondContact O-N 3.47Å; N304-F307 VanDerWaalsContact O-N 3.09Å; F305-F307 VanDerWaalsContact C-N 3.34Å; F305-F307 PolarHBondContact O-N 3.18Å; F307-W309 VanDerWaalsContact C-N 3.26Å; F307-W309 PolarHBondContact O-N 2.84Å; F307-K310 PolarHBondContact O-N 2.71Å; F307-N311 HydrophobicContact CE1-CB 4.36Å; F307-N311 HydrophobicContact CZ-CB 4.36Å; F307-N311 WeakPolarHBondContact O-CA 3.28Å; F307-N311 WeakPolarHBondContact O-CB 3.44Å; F307-N311 PolarHBondContact O-N 3Å |
| 308 | W | 93 | Very high | 87 | Confident | 37 Ų | 37 | 72 Ų | 72 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -51.6 | -49.6 | 176.7 | 167.5 | 82.3 | 0 | 0 | 0 | 110.6 | T94 R98 D100 N304 F305 | T94-W308 HydrophobicContact CG2-CE3 4.14Å; T94-W308 HydrophobicContact CG2-CH2 3.82Å; T94-W308 HydrophobicContact CG2-CZ3 3.6Å; R98-W308 HydrophobicContact CB-CZ2 4.39Å; R98-W308 PolarHBondContact NH1-O 3.26Å; R98-W308 VanDerWaalsContact NH2-NE1 3.14Å; D100-W308 VanDerWaalsContact CG-NE1 3.34Å; D100-W308 WeakPolarHBondContact OD1-CZ2 3.27Å; D100-W308 PolarHBondContact OD2-NE1 2.69Å; N304-W308 PolarHBondContact O-N 3.1Å; F305-W308 AromaticContact CD2-CE3 3.93Å; F305-W308 HydrophobicContact CD2-CE3 3.93Å; F305-W308 HydrophobicContact CD2-CZ3 4.19Å; F305-W308 AromaticContact CE2-CE3 3.92Å; F305-W308 HydrophobicContact CE2-CE3 3.92Å; F305-W308 AromaticContact CE2-CZ3 3.75Å; F305-W308 HydrophobicContact CE2-CZ3 3.75Å; F305-W308 WeakPolarHBondContact O-CB 3.45Å; F305-W308 PolarHBondContact O-N 3.36Å |
| 309 | W | 94.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -55.7 | -177.7 | -170.5 | -128.6 | 0 | 0 | 0 | 112.8 | E74 E76 A78 T81 F83 Y97 R98 F305 F307 N311 G312 | E74-W309 HydrophobicContact CG-CZ2 4.34Å; E76-W309 VanDerWaalsContact O-CZ2 3.24Å; E76-W309 WeakPolarHBondContact O-CZ2 3.43Å; A78-W309 VanDerWaalsContact CA-NE1 3.32Å; A78-W309 HydrophobicContact CB-CD2 3.94Å; A78-W309 HydrophobicContact CB-CG 3.87Å; A78-W309 HydrophobicContact CB-CZ2 4.32Å; A78-W309 WeakPolarHBondContact CB-O 3.47Å; T81-W309 HydrophobicContact CG2-CZ2 3.7Å; T81-W309 PolarHBondContact OG1-NE1 3.33Å; F83-W309 AromaticContact CD2-CD1 3.7Å; F83-W309 HydrophobicContact CD2-CG 4.5Å; F83-W309 AromaticContact CD2-NE1 3.46Å; F83-W309 HydrophobicContact CE2-CZ2 4.4Å; F83-W309 AromaticContact CE2-NE1 3.74Å; Y97-W309 HydrophobicContact CD1-CH2 4.49Å; Y97-W309 AromaticContact CE1-CH2 3.66Å; Y97-W309 HydrophobicContact CE1-CH2 3.66Å; Y97-W309 HydrophobicContact CE1-CZ2 4.47Å; Y97-W309 HydrophobicContact CE1-CZ3 4.39Å; Y97-W309 AromaticContact CZ-CH2 3.93Å; R98-W309 HydrophobicContact CG-CZ3 4.21Å; F305-W309 HydrophobicContact CE2-CB 4.49Å; F305-W309 HydrophobicContact CZ-CB 4.39Å; F305-W309 HydrophobicContact CZ-CG 4.42Å; F305-W309 WeakPolarHBondContact O-CB 3.47Å; F305-W309 PolarHBondContact O-N 3.05Å; F307-W309 VanDerWaalsContact C-N 3.26Å; F307-W309 PolarHBondContact O-N 2.84Å; W309-N311 PolarHBondContact O-N 3.2Å; W309-G312 PolarHBondContact O-N 3.13Å |
| 310 | K | 94.8 | Very high | 89.6 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | -178.3 | -70.7 | 169.1 | 169.4 | 161.8 | 0 | 112.4 | D85 M306 F307 G312 C313 | D85-K310 IonicContact OD1-NZ 3.2Å; D85-K310 PolarHBondContact OD1-NZ 2.93Å; D85-K310 IonicContact OD2-NZ 3.44Å; D85-K310 PolarHBondContact OD2-NZ 3.02Å; M306-K310 HydrophobicContact CE-CD 4.1Å; M306-K310 VanDerWaalsContact CE-CE 3.43Å; M306-K310 HydrophobicContact CE-CG 4.3Å; M306-K310 VanDerWaalsContact O-CB 3.23Å; M306-K310 WeakPolarHBondContact O-CB 3.42Å; M306-K310 WeakPolarHBondContact O-CG 3.46Å; M306-K310 PolarHBondContact O-N 2.85Å; F307-K310 PolarHBondContact O-N 2.71Å; K310-G312 PolarHBondContact O-N 2.84Å; K310-C313 PolarHBondContact O-N 3.49Å |
| 311 | N | 95 | Very high | 90.4 | Very high | 72 Ų | 72 | 71.9 Ų | 71.9 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -25.4 | -177.9 | -168.1 | 61.6 | 0 | 0 | 0 | 112.5 | F307 W309 C313 K314 | F307-N311 HydrophobicContact CE1-CB 4.36Å; F307-N311 HydrophobicContact CZ-CB 4.36Å; F307-N311 WeakPolarHBondContact O-CA 3.28Å; F307-N311 WeakPolarHBondContact O-CB 3.44Å; F307-N311 PolarHBondContact O-N 3Å; W309-N311 PolarHBondContact O-N 3.2Å; N311-C313 PolarHBondContact O-N 3.08Å; N311-K314 PolarHBondContact O-N 2.82Å; N311-K314 VanDerWaalsContact O-N 3.1Å |
| 312 | G | 95.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 73 Ų | 73 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C200 Q201 W309 K310 R316 | C200-G312 CarbonylContact C-O 3.56Å; C200-G312 WeakPolarHBondContact CA-O 3.24Å; Q201-G312 VanDerWaalsContact CB-O 3.31Å; Q201-G312 WeakPolarHBondContact CB-O 3.07Å; Q201-G312 PolarHBondContact N-O 3.15Å; W309-G312 PolarHBondContact O-N 3.13Å; K310-G312 PolarHBondContact O-N 2.84Å; G312-R316 WeakPolarHBondContact O-CD 3.33Å |
| 313 | C | 97 | Very high | 89.9 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -5.8 | 178.9 | -50.4 | 0 | 0 | 0 | 0 | 113.4 | L79 C200 K310 N311 | L79-C313 HydrophobicContact CD1-CB 4.14Å; L79-C313 HydrophobicContact CD2-CB 4.22Å; L79-C313 HydrophobicContact CG-CB 4Å; C200-C313 HydrophobicContact CB-CB 4.09Å; C200-C313 WeakPolarHBondContact CB-SG 3.28Å; C200-C313 WeakPolarHBondContact SG-CB 3.39Å; C200-C313 CovalentContact SG-SG 2.03Å; C200-C313 PolarHBondContact SG-SG 3.08Å; K310-C313 PolarHBondContact O-N 3.49Å; N311-C313 PolarHBondContact O-N 3.08Å |
| 314 | K | 95.1 | Very high | 88.3 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 138.6 | -170.5 | -172.3 | 179.7 | 178.8 | -176.8 | 0 | 110.8 | N311 R316 | N311-K314 PolarHBondContact O-N 2.82Å; N311-K314 VanDerWaalsContact O-N 3.1Å; K314-R316 PolarHBondContact O-N 3.08Å |
| 315 | N | 93.4 | Very high | 88.2 | Confident | 139 Ų | 139 | 78 Ų | 78 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 17.5 | 175.7 | -60.2 | -14.3 | 0 | 0 | 0 | 115 | ||
| 316 | R | 94.9 | Very high | 88 | Confident | 67 Ų | 67 | 82 Ų | 82 | 25% | 0.253 | 42% | 0.419 | S | S | . | . | trans | -84.1 | 118 | 175.6 | -61.1 | -166.7 | 62.1 | 114.3 | 3.6 | 108.7 | L199 E228 G312 K314 | L199-R316 HydrophobicContact CB-CB 4.1Å; L199-R316 VanDerWaalsContact O-CB 3.24Å; L199-R316 WeakPolarHBondContact O-CB 3.05Å; L199-R316 VanDerWaalsContact O-CD 3.26Å; L199-R316 WeakPolarHBondContact O-CD 3.26Å; E228-R316 IonicContact OE1-CZ 3.32Å; E228-R316 IonicContact OE1-NH1 3.25Å; E228-R316 PolarHBondContact OE1-NH1 3.43Å; E228-R316 IonicContact OE1-NH2 2.68Å; E228-R316 IonicContact OE2-CZ 3.84Å; E228-R316 VanDerWaalsContact OE2-CZ 3.32Å; E228-R316 IonicContact OE2-NH1 3.88Å; E228-R316 PolarHBondContact OE2-NH1 3.2Å; E228-R316 IonicContact OE2-NH2 3.05Å; E228-R316 PolarHBondContact OE2-NH2 3.29Å; G312-R316 WeakPolarHBondContact O-CD 3.33Å; K314-R316 PolarHBondContact O-N 3.08Å | ||
| 317 | T | 93.1 | Very high | 87.6 | Confident | 116 Ų | 116 | 86.2 Ų | 86.2 | 71% | 0.712 | 44% | 0.441 | S | S | * | . | trans | -130 | 159 | -175 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 318 | L | 94.1 | Very high | 87.3 | Confident | 21 Ų | 21 | 83.8 Ų | 83.8 | 11% | 0.11 | 43% | 0.434 | C | S | . | . | trans | -88.8 | 156.4 | 170.6 | -58 | 179.2 | 0 | 0 | 0 | 109.5 | P151 Y155 L199 M222 V241 D242 W320 | P151-L318 HydrophobicContact CG-CD1 3.48Å; P151-L318 VanDerWaalsContact CG-CD1 3.48Å; P151-L318 HydrophobicContact CG-CG 4.15Å; Y155-L318 HydrophobicContact CD2-CD1 4.18Å; L199-L318 HydrophobicContact CD1-CD2 3.95Å; L199-L318 HydrophobicContact CD1-CG 3.88Å; L199-L318 HydrophobicContact CD2-CD2 4.03Å; M222-L318 HydrophobicContact CE-CD1 3.43Å; M222-L318 VanDerWaalsContact CE-CD1 3.43Å; M222-L318 HydrophobicContact CG-CD1 3.94Å; M222-L318 HydrophobicContact CG-CD2 3.92Å; M222-L318 HydrophobicContact SD-CD1 3.71Å; V241-L318 HydrophobicContact CG2-CD2 4.01Å; D242-L318 WeakPolarHBondContact OD1-CA 3.35Å; D242-L318 WeakPolarHBondContact OD1-CB 3.04Å; L318-W320 PolarHBondContact O-N 2.89Å | ||
| 319 | R | 94.4 | Very high | 86.9 | Confident | 152 Ų | 152 | 86.7 Ų | 86.7 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -59.2 | -39.2 | 169.3 | -179 | 174.3 | 179.5 | -179 | 0.2 | 111.4 | D242 F244 N321 | D242-R319 HydrophobicContact CB-CB 4.14Å; D242-R319 WeakPolarHBondContact O-CD 3.2Å; D242-R319 WeakPolarHBondContact OD1-CB 3.46Å; D242-R319 PolarHBondContact OD1-N 3.18Å; F244-R319 WeakPolarHBondContact O-CD 3.12Å; R319-N321 PolarHBondContact O-N 2.96Å |
| 320 | W | 94 | Very high | 86.4 | Confident | 34 Ų | 34 | 92.2 Ų | 92.2 | 13% | 0.129 | 48% | 0.481 | C | S | . | . | trans | -76.1 | 115.2 | 174.4 | 178.2 | 66.9 | 0 | 0 | 0 | 110.4 | A154 Y155 E158 P247 L318 K322 | A154-W320 HydrophobicContact CB-CH2 4.43Å; A154-W320 WeakPolarHBondContact O-CH2 3.5Å; Y155-W320 HydrophobicContact CD2-CB 4.47Å; Y155-W320 AromaticContact CD2-CD2 3.95Å; Y155-W320 HydrophobicContact CD2-CD2 3.95Å; Y155-W320 AromaticContact CD2-CE3 3.3Å; Y155-W320 HydrophobicContact CD2-CE3 3.3Å; Y155-W320 HydrophobicContact CD2-CG 4.47Å; Y155-W320 AromaticContact CD2-CZ3 3.72Å; Y155-W320 HydrophobicContact CD2-CZ3 3.72Å; Y155-W320 HydrophobicContact CE2-CB 4Å; Y155-W320 HydrophobicContact CE2-CD2 4.18Å; Y155-W320 AromaticContact CE2-CE3 3.97Å; Y155-W320 HydrophobicContact CE2-CE3 3.97Å; Y155-W320 HydrophobicContact CE2-CG 4.26Å; Y155-W320 HydrophobicContact CG-CE3 4.11Å; Y155-W320 HydrophobicContact CG-CZ3 4.06Å; E158-W320 HydrophobicContact CB-CH2 3.99Å; E158-W320 HydrophobicContact CB-CZ2 3.86Å; E158-W320 HydrophobicContact CG-CH2 4.44Å; E158-W320 HydrophobicContact CG-CZ2 3.79Å; P247-W320 VanDerWaalsContact CD-CD1 3.47Å; P247-W320 HydrophobicContact CG-CD2 4.09Å; P247-W320 HydrophobicContact CG-CG 4.38Å; P247-W320 HydrophobicContact CG-CZ2 4.16Å; L318-W320 PolarHBondContact O-N 2.89Å; W320-K322 HydrophobicContact CH2-CB 3.75Å; W320-K322 HydrophobicContact CH2-CD 4.05Å; W320-K322 HydrophobicContact CH2-CG 4.07Å; W320-K322 HydrophobicContact CZ2-CB 3.73Å; W320-K322 HydrophobicContact CZ2-CD 4.34Å; W320-K322 HydrophobicContact CZ2-CG 3.93Å; W320-K322 HydrophobicContact CZ3-CB 4.23Å | ||
| 321 | N | 82.5 | Confident | 85.8 | Confident | 140 Ų | 140 | 91.9 Ų | 91.9 | 75% | 0.749 | 49% | 0.486 | S | S | * | . | trans | -101.4 | 120.7 | 165.5 | -164.8 | 1.5 | 0 | 0 | 0 | 107.9 | R319 A323 | R319-N321 PolarHBondContact O-N 2.96Å; N321-A323 VanDerWaalsContact C-N 3.31Å; N321-A323 PolarHBondContact O-N 3.15Å | ||
| 322 | K | 72.9 | Confident | 85.1 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | trans | -67.4 | 98.5 | 170.6 | -171.2 | 175.1 | -178.4 | 176.7 | 0 | 106.3 | A154 W320 V324 | A154-K322 HydrophobicContact CB-CD 4.23Å; W320-K322 HydrophobicContact CH2-CB 3.75Å; W320-K322 HydrophobicContact CH2-CD 4.05Å; W320-K322 HydrophobicContact CH2-CG 4.07Å; W320-K322 HydrophobicContact CZ2-CB 3.73Å; W320-K322 HydrophobicContact CZ2-CD 4.34Å; W320-K322 HydrophobicContact CZ2-CG 3.93Å; W320-K322 HydrophobicContact CZ3-CB 4.23Å; K322-V324 PolarHBondContact O-N 3Å | ||
| 323 | A | 59.7 | Low | 84.3 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | trans | -52.6 | 116.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | N321 | N321-A323 VanDerWaalsContact C-N 3.31Å; N321-A323 PolarHBondContact O-N 3.15Å | ||
| 324 | V | 39.9 | Very low | 83.1 | Confident | 209 Ų | 209 | 108.6 Ų | 108.6 | 100% | 1.267 | 57% | 0.57 | S | S | * | * | trans | -66.8 | 0 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | K322 | K322-V324 PolarHBondContact O-N 3Š|
Retrieved 324 of 324 residues in 91.9 ms
(Link to these results)